==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 09-FEB-10 3LQC . COMPND 2 MOLECULE: DNA REPAIR PROTEIN XRCC1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.CUNEO,J.M.KRAHN,R.E.LONDON . 344 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 20.1 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 0.6 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 . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 1 1 0 3 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 2 1 2 1 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 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 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 P 0 0 35 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -24.4 17.6 47.8 29.1 2 3 A E > - 0 0 83 1,-0.1 3,-2.0 41,-0.0 4,-0.3 -0.929 360.0-100.9-168.1 156.4 14.8 47.7 31.7 3 4 A I G > S+ 0 0 111 1,-0.3 3,-1.4 -2,-0.3 5,-0.1 0.820 117.5 54.3 -57.2 -37.0 14.2 49.7 34.9 4 5 A R G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.624 112.6 45.2 -74.5 -11.9 15.4 47.0 37.3 5 6 A L G < S+ 0 0 4 -3,-2.0 38,-3.1 37,-0.1 2,-0.5 0.238 100.5 89.6-108.3 9.7 18.7 46.8 35.4 6 7 A R E < -a 43 0A 36 -3,-1.4 2,-0.7 -4,-0.3 38,-0.2 -0.931 58.5-158.8-118.8 123.5 19.1 50.5 35.3 7 8 A H E -a 44 0A 27 36,-2.9 38,-3.0 -2,-0.5 2,-0.4 -0.885 18.3-164.6 -99.2 107.7 20.8 52.8 37.8 8 9 A V E +a 45 0A 57 -2,-0.7 2,-0.3 36,-0.2 38,-0.2 -0.761 11.7 173.7 -94.4 132.5 19.5 56.3 37.3 9 10 A V E -a 46 0A 29 36,-2.7 38,-3.0 -2,-0.4 2,-0.4 -0.992 29.7-124.4-138.0 153.0 21.2 59.3 38.9 10 11 A S E -a 47 0A 73 -2,-0.3 2,-0.8 36,-0.2 38,-0.2 -0.781 12.3-156.6 -90.6 132.7 21.0 63.1 38.8 11 12 A a E > +a 48 0A 1 36,-2.9 38,-0.9 -2,-0.4 3,-0.8 -0.657 28.6 164.2-107.1 72.5 24.2 65.0 37.9 12 13 A S T 3 + 0 0 70 -2,-0.8 2,-0.5 1,-0.3 37,-0.2 0.975 69.8 10.5 -63.8 -77.3 23.3 68.2 39.5 13 14 A S T 3 S+ 0 0 125 36,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.304 121.1 72.6-100.9 50.4 26.4 70.4 39.9 14 15 A Q S < S- 0 0 64 -3,-0.8 35,-0.4 -2,-0.5 2,-0.1 -0.983 76.3-118.1-157.4 147.1 28.5 68.2 37.6 15 16 A D >> - 0 0 68 -2,-0.3 4,-3.1 33,-0.1 3,-0.6 -0.427 47.2 -90.4 -81.4 165.2 28.9 67.4 34.0 16 17 A S H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 127.5 52.1 -39.9 -49.5 28.4 63.9 32.6 17 18 A T H 3> S+ 0 0 29 131,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.914 114.2 41.1 -57.8 -47.0 32.1 63.1 33.1 18 19 A H H <> S+ 0 0 103 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.874 113.7 54.0 -70.2 -38.0 32.1 64.2 36.7 19 20 A a H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.929 111.1 46.0 -61.7 -46.0 28.8 62.5 37.4 20 21 A A H X S+ 0 0 4 -4,-2.8 4,-3.3 -5,-0.3 5,-0.3 0.951 110.2 51.6 -60.9 -52.7 30.0 59.2 36.0 21 22 A E H X S+ 0 0 115 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.914 115.7 42.9 -53.9 -45.1 33.3 59.2 37.9 22 23 A N H < S+ 0 0 71 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.830 113.5 52.3 -69.3 -34.6 31.5 59.9 41.1 23 24 A L H >< S+ 0 0 11 -4,-2.2 3,-1.9 -5,-0.2 6,-0.3 0.965 107.8 50.7 -64.2 -50.0 28.8 57.4 40.3 24 25 A L H 3< S+ 0 0 28 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.804 115.3 40.4 -65.6 -32.3 31.2 54.6 39.6 25 26 A K T 3< S+ 0 0 138 -4,-1.4 2,-0.3 -5,-0.3 -1,-0.3 0.254 92.7 119.0 -96.3 13.1 33.2 55.0 42.9 26 27 A A <> - 0 0 24 -3,-1.9 4,-2.5 1,-0.1 3,-0.2 -0.636 63.5-141.1 -87.6 135.4 30.0 55.6 44.8 27 28 A D H > S+ 0 0 102 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.874 102.9 55.6 -60.5 -40.5 29.0 53.2 47.6 28 29 A T H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 110.5 45.9 -59.7 -40.6 25.4 53.4 46.7 29 30 A Y H > S+ 0 0 17 -6,-0.3 4,-3.5 -3,-0.2 5,-0.2 0.929 111.0 51.5 -67.6 -46.0 26.2 52.3 43.2 30 31 A R H X S+ 0 0 75 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.877 112.3 47.0 -60.4 -37.2 28.5 49.5 44.3 31 32 A K H X S+ 0 0 126 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.888 113.2 48.4 -71.3 -40.0 25.8 48.2 46.6 32 33 A W H X S+ 0 0 45 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.922 112.2 49.1 -62.2 -44.6 23.2 48.5 43.8 33 34 A R H >< S+ 0 0 8 -4,-3.5 3,-0.8 1,-0.2 -2,-0.2 0.890 108.9 53.1 -63.6 -40.5 25.6 46.7 41.5 34 35 A A H >< S+ 0 0 67 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.921 105.3 54.5 -57.2 -45.3 26.2 44.0 44.1 35 36 A A H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.684 106.9 53.1 -63.2 -17.3 22.4 43.5 44.4 36 37 A K T X< S+ 0 0 41 -3,-0.8 3,-1.4 -4,-0.7 -1,-0.3 0.172 76.7 140.2-106.4 15.1 22.3 42.9 40.6 37 38 A A T < + 0 0 59 -3,-1.8 101,-0.2 1,-0.2 3,-0.1 -0.301 63.5 35.6 -55.6 141.0 25.0 40.2 40.6 38 39 A G T 3 S+ 0 0 25 99,-1.6 2,-0.3 101,-0.4 -1,-0.2 0.403 87.6 130.6 94.1 -1.0 24.2 37.4 38.2 39 40 A E < - 0 0 44 -3,-1.4 -1,-0.3 98,-0.4 3,-0.1 -0.706 54.9-145.5 -93.2 136.7 22.6 39.7 35.6 40 41 A K S S+ 0 0 94 -2,-0.3 93,-3.4 1,-0.2 2,-0.3 0.705 82.4 17.9 -73.2 -23.7 23.6 39.6 31.9 41 42 A T E + B 0 132A 30 91,-0.2 2,-0.3 92,-0.1 91,-0.2 -0.994 60.1 176.5-150.6 144.2 23.2 43.3 31.4 42 43 A I E - B 0 131A 2 89,-2.2 89,-3.1 -2,-0.3 2,-0.3 -0.977 8.2-164.2-139.1 155.2 23.1 46.5 33.5 43 44 A S E -aB 6 130A 1 -38,-3.1 -36,-2.9 -2,-0.3 2,-0.4 -0.956 9.5-151.3-132.4 157.2 22.9 50.2 32.6 44 45 A V E -aB 7 129A 15 85,-1.7 85,-2.5 -2,-0.3 2,-0.5 -0.966 13.7-151.1-117.3 146.0 23.4 53.5 34.4 45 46 A V E -aB 8 128A 3 -38,-3.0 -36,-2.7 -2,-0.4 2,-0.7 -0.978 1.7-153.4-117.9 126.3 21.5 56.6 33.3 46 47 A L E -aB 9 127A 1 81,-3.2 81,-2.2 -2,-0.5 2,-0.9 -0.890 5.7-156.9 -96.6 116.0 23.0 60.1 33.8 47 48 A Q E -aB 10 126A 62 -38,-3.0 -36,-2.9 -2,-0.7 2,-0.3 -0.847 16.9-153.5 -91.6 104.5 20.4 62.8 34.2 48 49 A L E -a 11 0A 7 77,-2.7 -36,-0.1 -2,-0.9 3,-0.1 -0.584 16.3-151.8 -84.7 140.5 22.1 66.0 33.2 49 50 A E E S+ 0 0 151 -38,-0.9 2,-0.5 -35,-0.4 -1,-0.1 0.895 91.6 37.5 -74.1 -42.5 21.0 69.3 34.5 50 51 A K E S- 0 0 72 -38,-0.1 -1,-0.2 -3,-0.1 74,-0.1 -0.948 93.6-120.2-112.4 126.9 22.3 71.1 31.4 51 52 A E E - 0 0 101 -2,-0.5 2,-0.3 -3,-0.1 74,-0.3 -0.379 38.4-165.5 -59.8 139.7 21.9 69.4 28.0 52 53 A E E - B 0 124A 24 72,-2.7 72,-2.1 -4,-0.0 2,-0.5 -0.920 22.0-124.6-131.6 156.8 25.3 68.9 26.5 53 54 A Q - 0 0 47 -2,-0.3 2,-0.8 70,-0.2 70,-0.2 -0.889 25.6-142.1 -99.8 128.0 26.8 68.0 23.1 54 55 A I + 0 0 2 -2,-0.5 96,-0.2 68,-0.5 3,-0.1 -0.805 20.4 179.1-100.9 108.8 29.1 65.0 23.2 55 56 A H - 0 0 96 94,-3.5 2,-0.3 -2,-0.8 -1,-0.2 0.954 68.0 -18.2 -67.8 -54.0 32.2 65.3 20.9 56 57 A S E -E 149 0B 11 93,-0.9 93,-2.6 55,-0.1 2,-0.4 -0.935 60.4-132.5-152.4 168.4 33.8 62.0 21.7 57 58 A V E -EF 148 110B 0 53,-2.4 53,-2.6 -2,-0.3 2,-0.5 -0.991 6.7-163.3-138.1 127.0 33.7 59.2 24.3 58 59 A D E -EF 147 109B 25 89,-2.4 89,-3.2 -2,-0.4 2,-0.4 -0.936 15.1-168.5-109.1 132.1 36.4 57.4 26.2 59 60 A I E -EF 146 108B 0 49,-2.7 49,-2.4 -2,-0.5 2,-0.6 -0.974 13.1-163.8-128.2 127.6 35.5 54.1 27.9 60 61 A G E -EF 145 107B 1 85,-3.6 84,-3.6 -2,-0.4 85,-1.6 -0.938 24.6-138.1-110.3 113.2 37.4 52.0 30.4 61 62 A N E -E 143 0B 0 45,-3.1 82,-0.3 -2,-0.6 4,-0.0 -0.237 19.4-171.2 -70.4 153.0 36.0 48.6 30.7 62 63 A D E S-E 142 0B 69 80,-2.2 80,-1.8 81,-0.1 43,-0.2 -0.412 78.2 -48.9-137.3 62.4 35.6 46.7 34.0 63 64 A G B S+g 142 0B 12 41,-2.7 2,-0.2 1,-0.3 78,-0.2 0.518 93.7 138.5 94.1 7.8 34.7 43.2 32.8 64 65 A S - 0 0 0 78,-0.7 -1,-0.3 40,-0.4 69,-0.2 -0.590 43.6-155.0 -81.2 146.7 31.9 44.0 30.3 65 66 A A S S+ 0 0 0 67,-2.3 27,-3.0 1,-0.3 28,-1.5 0.862 81.8 14.9 -82.9 -42.0 31.7 42.1 27.0 66 67 A F E -CD 91 132A 7 66,-2.4 66,-2.8 25,-0.2 2,-0.4 -0.960 63.7-165.1-132.5 149.7 29.9 45.0 25.2 67 68 A V E -CD 90 131A 0 23,-2.1 23,-3.2 -2,-0.3 2,-0.4 -0.999 7.3-177.3-134.4 138.8 29.2 48.6 26.0 68 69 A E E - D 0 130A 3 62,-2.0 62,-3.2 -2,-0.4 2,-0.5 -0.987 11.7-154.1-132.8 143.2 26.7 50.9 24.3 69 70 A V E +CD 87 129A 0 18,-2.6 17,-2.7 -2,-0.4 18,-2.3 -0.975 16.2 177.1-121.1 122.6 26.0 54.6 24.8 70 71 A L E -CD 85 128A 0 58,-3.0 58,-3.0 -2,-0.5 2,-0.3 -0.850 12.0-151.8-118.2 158.0 22.6 56.1 24.1 71 72 A V E -CD 84 127A 0 13,-3.4 13,-3.1 -2,-0.3 2,-0.3 -0.913 11.7-176.9-130.0 154.9 21.3 59.6 24.6 72 73 A G E - D 0 126A 0 54,-2.2 54,-1.7 -2,-0.3 53,-1.6 -0.959 24.9-128.8-148.6 164.8 17.9 61.1 25.2 73 74 A S - 0 0 52 -2,-0.3 4,-0.1 9,-0.2 51,-0.1 -0.971 13.6-161.0-121.8 116.0 16.1 64.4 25.6 74 75 A S > + 0 0 36 -2,-0.5 3,-3.0 2,-0.1 -1,-0.1 0.859 62.4 98.7 -69.6 -38.0 14.0 64.7 28.8 75 76 A A T 3 S+ 0 0 84 1,-0.3 -2,-0.1 3,-0.0 50,-0.0 -0.282 96.0 16.4 -53.3 127.3 11.8 67.6 27.6 76 77 A G T 3 S- 0 0 96 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.160 129.9 -78.0 92.3 -17.7 8.5 66.1 26.4 77 78 A G < - 0 0 47 -3,-3.0 -4,-0.2 -4,-0.1 2,-0.2 -0.291 42.5-134.1 106.6 164.5 9.3 62.8 28.1 78 79 A A - 0 0 41 -2,-0.1 -1,-0.1 -6,-0.1 2,-0.1 -0.628 17.2-177.3-163.9 96.9 11.6 59.9 27.2 79 80 A G > - 0 0 39 -2,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.255 51.2 -86.8 -80.9 179.1 10.8 56.2 27.2 80 81 A E G > S+ 0 0 92 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.879 127.4 52.3 -55.1 -42.3 13.3 53.5 26.4 81 82 A Q G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 234,-0.0 0.706 97.3 66.7 -72.5 -19.4 12.5 53.7 22.7 82 83 A D G < S+ 0 0 103 -3,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.512 77.2 107.4 -81.4 -4.7 13.1 57.4 22.5 83 84 A Y < - 0 0 19 -3,-1.3 2,-0.4 -4,-0.3 -11,-0.2 -0.556 61.5-147.6 -73.8 140.0 16.8 57.0 23.2 84 85 A E E -C 71 0A 105 -13,-3.1 -13,-3.4 -2,-0.2 2,-0.4 -0.857 21.2-110.7-106.4 140.3 19.0 57.5 20.3 85 86 A V E +C 70 0A 5 -2,-0.4 -15,-0.3 -15,-0.3 34,-0.2 -0.576 37.3 169.3 -72.6 127.9 22.3 55.6 19.9 86 87 A L E S+ 0 0 0 -17,-2.7 30,-2.7 -2,-0.4 2,-0.6 0.819 78.0 22.1 -97.1 -59.7 25.4 57.7 20.4 87 88 A L E S-C 69 0A 2 -18,-2.3 -18,-2.6 28,-0.2 -1,-0.3 -0.948 89.7-129.5-111.3 116.1 28.0 54.9 20.6 88 89 A V E - 0 0 30 -2,-0.6 231,-0.2 26,-0.3 -21,-0.1 -0.161 46.7 -71.4 -59.4 151.9 26.9 51.7 19.0 89 90 A T E - 0 0 6 228,-0.5 231,-1.9 222,-0.2 2,-0.3 -0.248 65.6-165.4 -50.7 118.6 27.2 48.5 21.0 90 91 A S E -C 67 0A 2 -23,-3.2 -23,-2.1 229,-0.2 2,-0.2 -0.865 17.8-112.2-123.5 146.0 31.0 47.9 21.1 91 92 A S E +C 66 0A 16 -2,-0.3 -25,-0.2 -25,-0.2 3,-0.1 -0.469 37.9 155.5 -79.5 137.1 33.2 44.9 22.0 92 93 A F S S+ 0 0 0 -27,-3.0 2,-0.3 1,-0.5 14,-0.3 0.513 71.7 20.2-130.0 -24.4 35.5 45.0 25.0 93 94 A M - 0 0 4 -28,-1.5 -1,-0.5 12,-0.1 10,-0.1 -0.995 69.7-129.3-144.8 147.5 35.9 41.2 25.7 94 95 A S > - 0 0 25 -2,-0.3 4,-3.1 -3,-0.1 5,-0.2 -0.439 37.0-105.6 -80.8 165.1 35.4 38.1 23.7 95 96 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.900 124.2 50.3 -55.9 -42.2 33.3 35.2 25.1 96 97 A S H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.952 113.1 44.2 -57.9 -54.9 36.6 33.3 25.8 97 98 A E H >>S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 5,-1.1 0.894 110.3 56.2 -58.8 -42.2 38.1 36.3 27.6 98 99 A S H <5S+ 0 0 3 -4,-3.1 3,-0.2 1,-0.2 -1,-0.2 0.920 112.6 41.9 -54.9 -46.5 34.8 36.9 29.4 99 100 A R H <5S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 119.3 43.0 -71.2 -34.8 35.0 33.3 30.8 100 101 A S H <5S- 0 0 76 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.541 103.6-125.4 -90.8 -7.3 38.8 33.4 31.5 101 102 A G T <5 + 0 0 47 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.2 0.632 58.2 151.6 71.2 15.3 38.8 36.9 33.0 102 103 A S < - 0 0 52 -5,-1.1 -1,-0.2 1,-0.2 -2,-0.1 -0.600 62.2 -0.3 -84.3 139.5 41.5 37.9 30.6 103 104 A N S > S+ 0 0 84 -2,-0.3 3,-0.6 -3,-0.1 -1,-0.2 0.930 73.4 158.4 50.5 56.2 41.8 41.5 29.5 104 105 A P T 3 + 0 0 40 0, 0.0 -41,-2.7 0, 0.0 -40,-0.4 0.599 64.8 57.1 -79.7 -10.7 38.8 42.8 31.5 105 106 A N T 3 + 0 0 88 -43,-0.2 -2,-0.1 -42,-0.1 -12,-0.1 -0.043 67.0 155.7-118.9 31.7 40.1 46.4 31.5 106 107 A R < - 0 0 86 -3,-0.6 -45,-3.1 -14,-0.3 2,-0.5 -0.250 29.6-148.1 -57.5 143.6 40.4 47.4 27.9 107 108 A V E -F 60 0B 73 -47,-0.2 2,-0.4 2,-0.0 -47,-0.2 -0.965 16.0-177.3-112.4 132.7 40.2 51.1 27.1 108 109 A R E -F 59 0B 53 -49,-2.4 -49,-2.7 -2,-0.5 2,-0.4 -0.998 13.9-151.9-130.6 136.1 38.8 52.4 23.9 109 110 A M E -F 58 0B 114 -2,-0.4 2,-0.5 -51,-0.2 -51,-0.2 -0.866 7.1-163.0-100.6 137.0 38.5 56.0 22.7 110 111 A F E -F 57 0B 2 -53,-2.6 -53,-2.4 -2,-0.4 -2,-0.0 -0.861 10.4-169.2-125.0 96.2 35.7 56.9 20.3 111 112 A G >> - 0 0 26 -2,-0.5 3,-2.2 -55,-0.2 4,-0.7 -0.078 48.9 -79.2 -74.0-179.8 36.3 60.2 18.5 112 113 A P G >4 S+ 0 0 71 0, 0.0 3,-0.9 0, 0.0 8,-0.1 0.834 130.5 63.3 -49.5 -32.2 33.6 62.0 16.4 113 114 A D G 34 S+ 0 0 153 1,-0.2 4,-0.1 3,-0.1 -57,-0.1 0.814 104.1 43.1 -63.5 -33.7 34.5 59.5 13.7 114 115 A K G <4 S+ 0 0 94 -3,-2.2 -26,-0.3 2,-0.1 -1,-0.2 0.415 99.6 83.9-101.2 0.3 33.3 56.5 15.6 115 116 A L S << S- 0 0 12 -3,-0.9 2,-0.6 -4,-0.7 -28,-0.2 -0.607 95.6 -91.6 -96.1 161.0 30.1 58.0 17.0 116 117 A V >> - 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0 0 57 1,-0.0 -4,-2.1 -5,-0.0 -228,-0.5 -0.756 50.5-121.3 -88.9 118.3 20.5 49.1 16.8 318 307 B A B -N 312 0F 25 -2,-0.6 -6,-0.3 -6,-0.2 -16,-0.1 -0.246 28.7-146.1 -56.5 136.8 23.2 46.7 15.6 319 308 B G - 0 0 5 -8,-3.1 -229,-0.2 1,-0.2 3,-0.1 -0.053 39.2 -48.3 -92.3-163.2 26.7 47.3 17.0 320 309 B E S S- 0 0 45 -231,-1.9 -1,-0.2 1,-0.1 -11,-0.0 -0.315 70.2 -88.8 -70.0 149.8 30.2 47.0 15.6 321 310 B P - 0 0 75 0, 0.0 -11,-0.2 0, 0.0 -230,-0.2 -0.358 47.0-126.3 -55.3 135.7 31.1 43.7 13.7 322 311 B L - 0 0 7 -13,-2.5 -13,-0.4 -3,-0.1 2,-0.3 -0.713 26.2-101.3 -89.8 140.9 32.5 41.3 16.3 323 312 B P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.444 42.5-172.6 -63.6 120.5 35.9 39.7 15.6 324 313 B V + 0 0 9 -50,-0.4 -47,-0.3 -2,-0.3 -48,-0.2 -0.978 20.6 170.9-121.8 119.8 35.4 36.2 14.3 325 314 B D S S+ 0 0 122 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.381 72.9 1.9-106.3 -0.3 38.4 33.9 13.8 326 315 B S S > S- 0 0 26 1,-0.1 4,-0.8 -50,-0.0 -1,-0.2 -0.972 76.0 -99.3-169.9 166.4 36.3 30.8 13.1 327 316 B E H >> S+ 0 0 4 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 0.912 121.5 62.0 -60.1 -43.5 32.7 29.5 12.7 328 317 B Q H 3> S+ 0 0 90 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.859 95.9 59.1 -49.4 -41.1 33.1 28.3 16.3 329 318 B D H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.867 103.0 53.0 -58.4 -35.3 33.5 31.9 17.4 330 319 B I H S+ 0 0 3 -4,-1.5 5,-2.3 1,-0.2 4,-0.4 0.859 108.2 59.3 -63.1 -34.3 28.3 30.0 17.8 332 321 B D H ><5S+ 0 0 36 -4,-2.0 3,-1.7 -5,-0.2 -2,-0.2 0.948 100.6 53.5 -61.5 -49.4 30.1 31.1 21.0 333 322 B Y H 3<5S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.892 115.3 39.9 -51.8 -44.4 28.7 34.6 20.8 334 323 B I T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.369 110.6-123.2 -91.4 6.1 25.1 33.4 20.6 335 324 B Q T < 5 + 0 0 82 -3,-1.7 2,-0.4 -4,-0.4 -3,-0.2 0.874 61.5 142.8 55.2 43.1 25.8 30.6 23.1 336 325 B W < - 0 0 60 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.905 59.0-110.1-104.2 139.0 24.7 27.8 20.8 337 326 B R - 0 0 228 -2,-0.4 -5,-0.0 1,-0.1 -9,-0.0 -0.540 51.0 -90.9 -68.1 137.6 26.7 24.6 21.0 338 327 B Y - 0 0 56 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.137 34.3-150.8 -50.6 134.7 28.6 24.3 17.8 339 328 B R - 0 0 75 -3,-0.1 -1,-0.1 5,-0.0 4,-0.1 -0.965 21.7-126.0-108.6 116.4 27.0 22.4 14.9 340 329 B E > - 0 0 113 -2,-0.6 3,-3.1 1,-0.1 -146,-0.0 -0.282 27.7-106.6 -55.1 145.7 29.6 20.8 12.7 341 330 B P G > S+ 0 0 17 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.780 123.1 51.3 -43.9 -36.1 29.3 21.8 9.0 342 331 B K G 3 S+ 0 0 142 1,-0.2 3,-0.1 -147,-0.1 -148,-0.1 0.248 101.1 64.4 -91.5 13.2 27.8 18.3 8.2 343 332 B D G < S+ 0 0 83 -3,-3.1 -1,-0.2 1,-0.1 -3,-0.1 -0.259 76.4 94.9-124.2 39.1 25.2 18.7 11.0 344 333 B R < 0 0 0 -3,-0.5 -55,-0.4 -150,-0.2 -54,-0.2 -0.099 360.0 360.0-130.5 37.2 23.4 21.6 9.4 345 334 B S 0 0 122 -3,-0.1 -56,-0.3 -57,-0.1 -57,-0.3 0.832 360.0 360.0 -64.7 360.0 20.4 20.1 7.5