==== 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 08-JAN-08 2ZFN . COMPND 2 MOLECULE: REGULATOR OF TY1 TRANSPOSITION PROTEIN 109; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.A.YUAN . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 17.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.3 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 . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 0 2 0 0 2 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 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 PARALLEL BRIDGES PER LADDER . 4 0 1 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 1DA M 0 0 70 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 65.7 42.7 42.8 6.8 2 1CA A + 0 0 96 2,-0.2 3,-0.1 3,-0.0 0, 0.0 0.862 360.0 10.3-107.8 -52.5 46.5 43.1 6.1 3 1BA A S S+ 0 0 87 1,-0.3 2,-0.6 2,-0.0 6,-0.0 0.856 133.6 39.8 -89.6 -56.1 48.2 39.7 5.9 4 1AA X + 0 0 65 1,-0.2 -1,-0.3 5,-0.0 -2,-0.2 -0.840 60.4 144.4-106.0 123.4 45.0 37.6 5.9 5 1 A X + 0 0 94 -2,-0.6 -1,-0.2 -3,-0.1 2,-0.1 0.746 52.6 59.6-120.7 -53.9 42.1 38.7 3.9 6 2 A S S > S- 0 0 28 1,-0.1 4,-2.5 311,-0.1 5,-0.1 -0.409 79.4-119.0 -83.3 154.4 40.2 35.8 2.4 7 3 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.875 121.9 57.9 -50.3 -38.1 38.6 32.8 4.1 8 4 A N H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 105.2 48.3 -54.1 -52.1 41.2 30.9 2.0 9 5 A D H > S+ 0 0 38 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.938 114.2 46.6 -51.3 -51.9 44.0 32.9 3.7 10 6 A F H >X S+ 0 0 14 -4,-2.5 3,-0.9 2,-0.2 4,-0.5 0.958 115.8 42.2 -60.0 -60.3 42.5 32.2 7.2 11 7 A L H >X S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.3 4,-0.8 0.903 112.5 55.5 -52.1 -51.4 41.9 28.4 6.8 12 8 A S H 3< S+ 0 0 1 -4,-2.5 362,-2.8 -5,-0.3 363,-0.6 0.750 98.3 62.6 -53.7 -29.5 45.2 27.9 5.0 13 9 A S H << S+ 0 0 39 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.720 113.3 33.2 -76.2 -17.7 47.2 29.5 7.9 14 10 A V H << S+ 0 0 6 -3,-1.4 89,-0.5 -4,-0.5 -1,-0.2 0.431 98.0 95.2-112.9 -3.0 46.1 26.8 10.3 15 11 A L S < S- 0 0 0 -4,-0.8 360,-2.6 357,-0.1 359,-0.8 -0.636 90.5 -84.9 -96.3 147.1 45.9 23.7 8.0 16 12 A P B > -a 375 0A 8 0, 0.0 3,-1.7 0, 0.0 357,-0.4 -0.277 56.8 -85.6 -60.3 143.6 48.9 21.4 7.8 17 13 A V T 3 S- 0 0 32 358,-2.4 357,-0.3 1,-0.3 3,-0.1 -0.097 105.0 -4.0 -48.7 135.0 51.8 22.4 5.3 18 14 A S T 3 S+ 0 0 95 355,-1.9 2,-0.3 1,-0.2 -1,-0.3 0.510 98.2 128.7 57.8 7.6 51.4 21.2 1.7 19 15 A E < - 0 0 52 -3,-1.7 354,-2.9 -4,-0.0 2,-0.4 -0.771 54.0-130.6 -96.1 146.0 48.2 19.3 2.4 20 16 A Q E +B 372 0B 115 -2,-0.3 42,-0.3 352,-0.2 2,-0.3 -0.761 31.0 164.4-102.8 137.5 45.1 19.9 0.3 21 17 A F E -B 371 0B 3 350,-2.2 350,-2.6 -2,-0.4 2,-0.3 -0.914 21.0-147.4-138.7 163.9 41.6 20.6 1.5 22 18 A E E -BC 370 60B 48 38,-2.1 38,-2.9 -2,-0.3 2,-0.3 -0.954 15.1-157.3-128.7 158.6 38.4 22.0 0.2 23 19 A Y E -BC 369 59B 4 346,-2.0 346,-1.6 -2,-0.3 2,-0.5 -0.987 16.1-149.8-136.7 149.8 35.7 24.1 1.9 24 20 A L E - C 0 58B 0 34,-2.7 34,-2.3 -2,-0.3 2,-0.5 -0.966 15.2-177.8-105.2 127.0 32.0 25.0 1.6 25 21 A S E + C 0 57B 4 -2,-0.5 298,-2.3 32,-0.2 2,-0.3 -0.926 14.2 179.4-123.5 107.3 31.2 28.5 3.0 26 22 A L E -dC 323 56B 0 30,-3.0 30,-3.0 -2,-0.5 2,-0.4 -0.797 6.5-173.0-116.2 145.3 27.4 28.9 2.7 27 23 A Q E - C 0 55B 4 296,-1.9 28,-0.2 -2,-0.3 2,-0.1 -0.998 17.5-134.1-144.0 135.6 25.3 31.9 3.7 28 24 A S - 0 0 27 26,-2.1 300,-0.1 -2,-0.4 298,-0.0 -0.361 40.0 -94.9 -77.0 166.3 21.7 32.8 3.9 29 25 A I - 0 0 50 -2,-0.1 23,-0.1 1,-0.1 98,-0.1 -0.751 52.2-104.9 -80.5 125.4 20.3 36.0 2.6 30 26 A P - 0 0 11 0, 0.0 98,-3.0 0, 0.0 2,-0.3 -0.220 47.6-174.6 -50.2 139.0 20.1 38.4 5.6 31 27 A L E -Ef 52 128B 59 21,-2.1 21,-3.1 96,-0.2 2,-0.2 -0.975 30.2-101.9-140.3 157.4 16.6 38.9 7.0 32 28 A E E +E 51 0B 45 96,-2.6 2,-0.2 -2,-0.3 19,-0.2 -0.534 48.3 173.4 -75.4 140.1 14.8 41.0 9.5 33 29 A T E -E 50 0B 35 17,-2.2 17,-0.5 -2,-0.2 3,-0.1 -0.782 37.8 -73.1-142.5 173.8 14.0 39.0 12.7 34 30 A H - 0 0 114 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.350 69.7 -80.7 -68.9 157.6 12.6 39.5 16.2 35 31 A A - 0 0 19 1,-0.1 -1,-0.1 12,-0.1 222,-0.1 -0.328 37.4-123.5 -56.3 143.1 14.9 41.3 18.6 36 32 A V S S+ 0 0 11 1,-0.1 221,-2.3 220,-0.1 2,-0.5 0.930 102.1 36.5 -52.1 -46.2 17.6 39.0 20.1 37 33 A V B S-M 256 0C 49 219,-0.2 -1,-0.1 216,-0.1 216,-0.1 -0.902 104.1-103.4-109.7 132.2 16.5 39.9 23.6 38 34 A T - 0 0 45 217,-0.6 2,-0.2 214,-0.6 -2,-0.1 -0.323 40.5-123.1 -49.6 124.2 12.8 40.4 24.3 39 35 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.505 16.2-135.2 -69.7 142.3 12.1 44.2 24.6 40 36 A N > - 0 0 21 -2,-0.2 3,-0.7 213,-0.2 213,-0.0 -0.783 10.9-133.9 -90.3 141.5 10.4 45.6 27.7 41 37 A K T 3 S+ 0 0 195 -2,-0.4 2,-0.8 1,-0.3 -1,-0.1 0.864 103.9 60.4 -57.5 -41.0 7.6 48.1 27.3 42 38 A D T 3 S+ 0 0 161 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.177 84.5 107.5 -86.8 41.9 9.2 50.3 30.0 43 39 A D < - 0 0 55 -2,-0.8 3,-0.1 -3,-0.7 204,-0.0 -0.943 63.7-144.0-123.5 145.7 12.4 50.8 28.0 44 40 A K S S+ 0 0 211 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.662 86.2 42.8 -87.7 -17.8 13.5 54.0 26.2 45 41 A R + 0 0 109 2,-0.0 -1,-0.2 3,-0.0 3,-0.0 -0.949 58.3 175.2-135.6 116.4 15.2 52.3 23.2 46 42 A V - 0 0 79 -2,-0.4 -5,-0.0 -3,-0.1 3,-0.0 -0.862 47.6 -88.1-105.8 146.2 13.8 49.3 21.3 47 43 A P - 0 0 25 0, 0.0 31,-0.3 0, 0.0 3,-0.2 -0.247 21.1-146.6 -59.0 141.2 15.8 48.2 18.2 48 44 A K S S- 0 0 105 29,-2.8 2,-0.3 1,-0.3 30,-0.2 0.901 81.9 -17.5 -65.8 -43.9 14.9 49.8 14.9 49 45 A S E - G 0 77B 7 28,-1.4 28,-3.3 30,-0.1 2,-0.4 -0.979 54.0-146.5-162.0 149.8 15.7 46.5 13.2 50 46 A T E -EG 33 76B 4 -17,-0.5 -17,-2.2 -2,-0.3 2,-0.5 -0.997 16.4-161.4-124.1 127.7 17.5 43.2 13.8 51 47 A I E -EG 32 75B 0 24,-2.5 24,-2.3 -2,-0.4 2,-0.4 -0.929 5.9-165.3-114.5 125.6 19.2 41.5 10.9 52 48 A K E +EG 31 74B 59 -21,-3.1 -21,-2.1 -2,-0.5 2,-0.4 -0.946 8.5 177.5-120.4 132.9 20.0 37.8 11.1 53 49 A T E - G 0 73B 0 20,-2.0 20,-2.7 -2,-0.4 2,-0.5 -0.996 18.1-144.0-132.7 133.3 22.4 35.8 8.8 54 50 A Q E - G 0 72B 20 -2,-0.4 -26,-2.1 18,-0.2 2,-0.5 -0.880 8.9-166.9 -98.9 127.7 23.4 32.2 8.9 55 51 A H E -CG 27 71B 0 16,-3.1 16,-2.8 -2,-0.5 2,-0.5 -0.983 8.5-173.4-103.5 125.5 27.0 31.2 7.9 56 52 A F E -CG 26 70B 0 -30,-3.0 -30,-3.0 -2,-0.5 2,-0.3 -0.986 4.3-171.5-121.8 125.3 27.3 27.4 7.5 57 53 A F E -CG 25 69B 3 12,-2.9 12,-2.2 -2,-0.5 2,-0.4 -0.875 9.6-177.5-118.1 145.5 30.8 26.0 6.9 58 54 A S E -CG 24 68B 0 -34,-2.3 -34,-2.7 -2,-0.3 2,-0.4 -0.995 12.0-153.1-139.3 133.8 32.0 22.4 5.9 59 55 A L E -CG 23 67B 1 8,-2.6 7,-2.4 -2,-0.4 8,-1.1 -0.917 12.4-167.1-108.7 145.1 35.6 21.3 5.5 60 56 A F E -CG 22 65B 0 -38,-2.9 -38,-2.1 -2,-0.4 2,-0.3 -0.916 10.3-176.1-127.9 150.1 36.6 18.4 3.2 61 57 A H E > S- G 0 64B 7 3,-2.1 3,-0.7 -2,-0.3 -40,-0.1 -0.973 74.4 -5.0-146.2 130.9 39.8 16.3 2.7 62 58 A Q T 3 S- 0 0 117 -2,-0.3 3,-0.1 -42,-0.3 -1,-0.1 0.889 131.5 -50.6 54.5 43.4 40.3 13.6 0.1 63 59 A G T 3 S+ 0 0 20 1,-0.2 2,-0.4 290,-0.1 -1,-0.2 0.732 117.5 102.8 74.7 24.9 36.7 13.8 -1.2 64 60 A K E < -G 61 0B 31 -3,-0.7 -3,-2.1 289,-0.1 286,-0.2 -0.995 67.7-128.7-142.2 128.8 35.1 13.5 2.2 65 61 A V E +G 60 0B 0 284,-1.7 -5,-0.2 -2,-0.4 32,-0.2 -0.502 33.7 162.1 -69.1 146.7 33.4 16.0 4.5 66 62 A F E + 0 0 5 -7,-2.4 29,-1.2 1,-0.4 30,-0.5 0.443 56.3 34.2-141.9 -9.2 34.8 15.8 8.1 67 63 A F E +GH 59 94B 0 -8,-1.1 -8,-2.6 27,-0.2 -1,-0.4 -0.991 53.2 179.5-152.3 140.2 33.9 19.1 9.9 68 64 A S E -GH 58 93B 0 25,-2.1 25,-1.9 -2,-0.3 2,-0.4 -0.989 5.3-168.0-143.7 154.4 31.0 21.5 9.9 69 65 A L E -GH 57 92B 0 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.5 -0.999 5.9-159.1-146.7 127.7 30.3 24.8 11.8 70 66 A E E +GH 56 91B 4 21,-3.0 20,-2.0 -2,-0.4 21,-1.5 -0.956 18.5 171.2-117.3 119.9 27.0 26.7 12.0 71 67 A V E -GH 55 89B 0 -16,-2.8 -16,-3.1 -2,-0.5 2,-0.4 -0.939 19.0-154.9-129.4 146.0 27.2 30.4 13.1 72 68 A Y E -GH 54 88B 22 16,-2.4 16,-3.1 -2,-0.3 2,-0.5 -0.977 6.6-159.5-122.1 132.4 24.5 33.2 13.1 73 69 A V E -GH 53 87B 3 -20,-2.7 -20,-2.0 -2,-0.4 2,-0.5 -0.980 7.7-168.2-110.9 126.1 25.5 36.9 12.9 74 70 A Y E -GH 52 86B 5 12,-2.6 12,-2.3 -2,-0.5 2,-0.6 -0.962 6.8-164.0-114.3 126.8 22.9 39.4 14.2 75 71 A V E -GH 51 85B 0 -24,-2.3 -24,-2.5 -2,-0.5 2,-0.5 -0.972 11.8-160.4-105.1 116.6 23.3 43.1 13.5 76 72 A T E -GH 50 84B 14 8,-3.0 8,-1.9 -2,-0.6 2,-0.5 -0.880 3.5-159.1-101.6 128.1 21.0 45.1 15.8 77 73 A L E +GH 49 83B 0 -28,-3.3 -29,-2.8 -2,-0.5 -28,-1.4 -0.896 26.7 164.0-109.0 129.4 20.2 48.6 14.8 78 74 A W S S- 0 0 65 4,-3.3 2,-0.2 -2,-0.5 5,-0.2 0.703 76.1 -33.4-106.4 -36.3 19.0 51.3 17.2 79 75 A D S S- 0 0 64 3,-1.8 -1,-0.5 -30,-0.1 3,-0.2 -0.853 78.8 -70.0-158.4-164.4 19.7 54.2 14.8 80 76 A E S S+ 0 0 141 -2,-0.2 3,-0.1 1,-0.2 72,-0.0 0.768 134.1 29.0 -69.6 -29.4 22.2 55.3 12.0 81 77 A A S S+ 0 0 82 73,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.378 111.7 76.0-109.1 0.1 25.1 55.8 14.5 82 78 A D + 0 0 69 -3,-0.2 -4,-3.3 76,-0.0 -3,-1.8 -0.926 58.6 128.7-129.3 102.9 24.0 53.2 17.0 83 79 A A E -H 77 0B 9 -2,-0.5 76,-0.8 -6,-0.2 2,-0.3 -0.972 30.2-162.6-154.2 160.7 24.4 49.4 16.3 84 80 A E E -Hi 76 159B 45 -8,-1.9 -8,-3.0 -2,-0.3 2,-0.4 -0.981 9.3-149.4-144.1 148.7 25.9 46.2 17.7 85 81 A R E -Hi 75 160B 5 74,-2.8 76,-2.5 -2,-0.3 2,-0.4 -0.935 9.0-167.2-121.3 152.1 26.8 42.8 16.2 86 82 A L E -Hi 74 161B 17 -12,-2.3 -12,-2.6 -2,-0.4 2,-0.7 -0.992 10.6-154.3-139.6 127.3 26.7 39.4 17.8 87 83 A I E -Hi 73 162B 2 74,-2.8 76,-2.2 -2,-0.4 2,-0.6 -0.929 12.7-164.2-102.5 109.1 28.2 36.2 16.6 88 84 A F E -Hi 72 163B 3 -16,-3.1 -16,-2.4 -2,-0.7 2,-0.9 -0.913 9.0-150.7 -95.4 110.3 26.3 33.2 18.0 89 85 A V E +Hi 71 164B 6 74,-2.3 76,-0.5 -2,-0.6 -18,-0.2 -0.764 24.3 172.9 -84.6 109.6 28.3 30.0 17.6 90 86 A S E - 0 0 24 -20,-2.0 2,-0.3 -2,-0.9 -19,-0.2 0.960 51.7 -2.9 -92.9 -56.2 25.6 27.4 17.3 91 87 A K E -H 70 0B 38 -21,-1.5 -21,-3.0 2,-0.0 2,-0.3 -0.998 49.4-177.4-143.7 133.3 26.9 24.0 16.4 92 88 A A E +H 69 0B 26 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.957 22.3 163.0-121.3 143.7 30.4 22.6 15.7 93 89 A D E -H 68 0B 15 -25,-1.9 -25,-2.1 -2,-0.3 2,-0.3 -0.985 23.8-161.9-158.9 160.9 30.8 18.9 14.8 94 90 A T E -H 67 0B 30 -2,-0.3 -27,-0.2 -27,-0.2 80,-0.2 -0.845 11.0-156.0-137.0 162.0 33.1 16.3 13.2 95 91 A N - 0 0 0 -29,-1.2 88,-0.3 -2,-0.3 87,-0.2 0.436 40.0-118.7-121.1 -0.8 32.5 12.8 11.8 96 92 A G S S+ 0 0 19 -30,-0.5 2,-0.8 86,-0.2 -30,-0.1 0.505 76.2 122.9 77.8 3.4 35.9 11.2 12.2 97 93 A Y + 0 0 21 -32,-0.2 2,-0.4 -31,-0.1 -36,-0.2 -0.419 39.3 107.1 -98.8 57.5 36.3 10.6 8.5 98 94 A C - 0 0 34 -2,-0.8 4,-0.1 -32,-0.1 -36,-0.1 -0.999 51.1-162.9-129.6 131.1 39.6 12.5 8.0 99 95 A N + 0 0 115 -2,-0.4 2,-0.3 -38,-0.1 -1,-0.0 0.334 68.8 70.1-100.7 11.2 42.8 10.5 7.5 100 96 A T S S- 0 0 32 -39,-0.0 2,-0.5 -81,-0.0 -2,-0.0 -0.900 86.6-104.8-125.5 158.0 45.1 13.4 8.4 101 97 A R + 0 0 223 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.675 48.9 157.3 -81.7 121.3 46.0 15.2 11.6 102 98 A V - 0 0 32 -2,-0.5 2,-0.8 -87,-0.1 3,-0.1 -0.948 45.1-115.2-135.0 161.2 44.4 18.7 11.8 103 99 A S > - 0 0 28 -89,-0.5 4,-2.1 -2,-0.3 5,-0.1 -0.869 24.5-176.3 -98.4 105.0 43.5 21.1 14.7 104 100 A V H > S+ 0 0 34 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.793 85.5 59.6 -64.8 -37.1 39.7 21.4 14.7 105 101 A R H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 109.9 40.6 -50.0 -56.8 40.1 23.9 17.6 106 102 A D H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.847 112.3 54.0 -69.2 -37.2 42.3 26.2 15.4 107 103 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.962 112.4 46.7 -55.2 -48.3 40.1 25.7 12.3 108 104 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 113.5 46.6 -61.5 -48.5 37.1 26.8 14.4 109 105 A K H X S+ 0 0 21 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 113.2 49.7 -56.0 -53.5 38.9 29.8 15.9 110 106 A I H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.846 106.9 54.7 -63.5 -37.1 40.2 30.9 12.5 111 107 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 3,-0.4 0.955 108.9 48.7 -57.8 -43.4 36.8 30.6 11.0 112 108 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.842 108.1 54.1 -71.3 -31.2 35.4 33.0 13.7 113 109 A E H X S+ 0 0 16 -4,-1.9 4,-1.1 2,-0.2 -1,-0.3 0.875 105.7 51.7 -67.2 -31.7 38.1 35.3 13.1 114 110 A F H >< S+ 0 0 0 -4,-1.8 3,-0.8 -3,-0.4 4,-0.4 0.952 112.0 48.9 -61.8 -47.7 37.2 35.5 9.3 115 111 A I H >< S+ 0 0 2 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.911 106.1 54.5 -60.2 -41.1 33.7 36.2 10.5 116 112 A L H 3< S+ 0 0 9 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.771 102.7 60.8 -62.9 -23.9 34.9 39.0 12.9 117 113 A S T << S+ 0 0 22 -4,-1.1 198,-1.9 -3,-0.8 197,-0.8 0.539 80.6 106.3 -81.8 -6.7 36.7 40.6 9.9 118 114 A I B < S-n 315 0D 0 -3,-1.9 198,-0.2 -4,-0.4 5,-0.0 -0.567 77.4-120.5 -79.8 131.4 33.4 41.1 8.0 119 115 A D > - 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0 0 4 -4,-1.7 -28,-2.4 4,-0.1 -27,-0.4 -0.674 60.7-154.9 -92.3 119.6 11.4 34.2 37.1 280 307 A S B > -Q 250 0G 23 -2,-0.6 4,-2.7 -30,-0.3 -30,-0.3 -0.305 35.0-103.7 -74.6 168.2 14.5 36.3 37.9 281 308 A L H > S+ 0 0 22 -32,-2.8 4,-2.0 1,-0.2 5,-0.2 0.888 124.1 54.2 -58.9 -36.7 17.9 35.8 36.1 282 309 A S H > S+ 0 0 82 -33,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.922 111.2 41.5 -65.5 -46.0 19.1 34.1 39.3 283 310 A S H > S+ 0 0 44 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.882 109.8 63.2 -69.7 -36.3 16.2 31.6 39.4 284 311 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.939 103.1 44.4 -46.4 -60.9 16.6 31.2 35.6 285 312 A W H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.877 116.7 47.9 -62.1 -34.4 20.2 29.8 35.8 286 313 A I H X S+ 0 0 92 -4,-1.4 4,-3.2 -5,-0.2 -1,-0.2 0.936 115.8 41.5 -69.0 -48.5 19.2 27.5 38.6 287 314 A E H X>S+ 0 0 23 -4,-3.3 4,-3.2 2,-0.2 5,-0.6 0.835 106.8 64.1 -71.6 -30.0 16.0 26.1 37.0 288 315 A L H X>S+ 0 0 0 -4,-3.1 5,-2.7 -5,-0.3 4,-0.9 0.933 117.7 27.9 -53.2 -50.0 17.7 25.9 33.6 289 316 A Q H <>S+ 0 0 54 -4,-1.4 5,-1.7 3,-0.2 -2,-0.2 0.961 126.0 46.9 -72.6 -55.3 20.0 23.3 35.1 290 317 A E H <5S+ 0 0 119 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.810 126.4 25.2 -58.2 -39.2 17.6 21.9 37.8 291 318 A R H <5S+ 0 0 80 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.577 136.2 11.4-109.0 -16.2 14.6 21.6 35.5 292 319 A Q T >< - 0 0 54 1,-0.1 4,-2.0 5,-0.0 3,-0.1 -0.264 31.6 -95.0 -80.0 176.7 33.9 37.6 -2.2 319 346 A S T 4 S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.702 130.0 54.6 -68.3 -19.9 32.3 34.8 -4.2 320 347 A A T 4 S+ 0 0 36 1,-0.1 -1,-0.2 3,-0.0 49,-0.1 0.850 109.2 47.0 -74.9 -41.6 35.4 32.8 -3.2 321 348 A D T 4 S+ 0 0 6 1,-0.2 2,-0.3 -314,-0.1 -2,-0.2 0.821 126.7 7.4 -63.7 -42.8 34.8 33.5 0.6 322 349 A V < - 0 0 9 -4,-2.0 2,-0.5 2,-0.0 -296,-0.2 -0.989 55.9-145.2-145.8 152.9 31.1 32.7 0.6 323 350 A I B -d 26 0B 23 -298,-2.3 -296,-1.9 -2,-0.3 -4,-0.0 -0.991 16.3-166.4-117.6 127.7 28.2 31.3 -1.7 324 351 A V - 0 0 60 -2,-0.5 -296,-0.1 -298,-0.2 -298,-0.1 -0.914 16.9-140.1-116.3 99.2 24.9 32.9 -1.1 325 352 A P - 0 0 3 0, 0.0 6,-0.1 0, 0.0 -296,-0.0 -0.223 14.2-125.0 -59.7 155.5 22.1 30.8 -2.8 326 353 A K S S+ 0 0 170 -298,-0.0 2,-0.3 2,-0.0 3,-0.1 0.672 90.0 42.8 -69.6 -18.9 19.4 32.7 -4.6 327 354 A S S > S- 0 0 43 1,-0.1 4,-2.0 -299,-0.0 5,-0.1 -0.912 70.7-133.4-137.4 150.2 16.8 30.9 -2.5 328 355 A R H > S+ 0 0 160 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.840 114.2 53.3 -65.7 -37.9 16.0 29.8 1.0 329 356 A K H > S+ 0 0 179 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 109.7 47.7 -62.8 -41.9 15.0 26.4 -0.6 330 357 A Q H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.886 110.4 51.1 -66.8 -42.4 18.4 26.2 -2.3 331 358 A F H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.956 113.6 46.1 -55.8 -51.4 20.2 27.1 0.9 332 359 A R H X S+ 0 0 144 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.855 110.4 51.9 -61.4 -38.4 18.3 24.4 2.8 333 360 A A H X S+ 0 0 38 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.904 112.3 46.0 -69.9 -38.5 18.9 21.8 0.0 334 361 A I H >X S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 4,-0.6 0.922 113.5 47.7 -69.2 -44.6 22.6 22.3 0.0 335 362 A K H >X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 3,-1.4 0.904 106.7 59.1 -63.2 -39.3 22.9 22.3 3.8 336 363 A K H 3X S+ 0 0 144 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.723 89.3 70.0 -64.7 -24.6 20.8 19.1 4.0 337 364 A Y H << S+ 0 0 76 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.813 112.7 32.6 -59.2 -30.4 23.3 17.2 1.8 338 365 A I H X< S+ 0 0 0 -3,-1.4 3,-1.0 -4,-0.6 -2,-0.2 0.917 127.6 37.3 -81.7 -59.8 25.6 17.5 4.9 339 366 A T H 3< S+ 0 0 43 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.674 114.8 52.1 -76.0 -21.6 23.1 17.3 7.7 340 367 A G T 3< S+ 0 0 52 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.1 0.367 90.0 102.0 -93.7 4.4 20.6 14.7 6.2 341 368 A E S < S- 0 0 27 -3,-1.0 2,-0.5 -5,-0.1 7,-0.1 -0.452 73.6-120.0 -86.1 158.1 23.3 12.2 5.4 342 369 A E - 0 0 87 -2,-0.1 3,-0.3 1,-0.1 -166,-0.2 -0.891 23.4-174.8 -97.9 129.9 24.0 9.0 7.5 343 370 A Y + 0 0 0 -168,-3.1 -167,-0.2 -2,-0.5 -163,-0.1 0.124 52.4 109.1-115.2 19.9 27.6 8.9 8.8 344 371 A D S S+ 0 0 66 -169,-0.1 2,-0.3 -165,-0.1 -1,-0.2 0.703 91.1 31.8 -66.3 -20.4 27.7 5.4 10.4 345 372 A T S >> S- 0 0 71 -3,-0.3 3,-1.6 -165,-0.1 4,-0.6 -0.925 91.7-109.7-130.5 161.2 30.0 4.6 7.5 346 373 A E H >> S+ 0 0 92 -2,-0.3 4,-2.0 1,-0.3 3,-0.5 0.753 109.9 79.2 -59.4 -19.9 32.6 6.6 5.5 347 374 A E H 3> S+ 0 0 145 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.858 86.5 56.5 -60.4 -32.2 30.1 6.4 2.6 348 375 A G H <> S+ 0 0 2 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.872 107.1 48.2 -62.8 -36.7 28.1 9.1 4.2 349 376 A A H S+ 0 0 28 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.935 113.6 46.1 -57.2 -50.0 24.8 20.6 -6.9 360 387 A L H X5S+ 0 0 0 -4,-2.5 6,-1.9 3,-0.2 4,-1.4 0.887 117.1 43.6 -62.7 -44.7 27.1 23.6 -7.0 361 388 A L H X5S+ 0 0 64 -4,-2.2 4,-1.1 4,-0.3 -2,-0.2 0.942 121.7 37.5 -66.7 -48.1 28.6 22.7 -10.4 362 389 A L H <5S+ 0 0 137 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.939 128.8 29.8 -72.6 -47.6 25.3 21.9 -12.1 363 390 A R H <5S+ 0 0 178 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.675 136.5 19.7 -86.8 -21.9 23.0 24.5 -10.4 364 391 A X H <