==== 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 OXIDOREDUCTASE 18-FEB-09 3GAZ . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR L.DAMODHARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 661 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.0 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 6 0 2 0 6 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 6 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 PARALLEL BRIDGES PER LADDER . 4 1 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 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 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 6 A P 0 0 135 0, 0.0 21,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 153.0 70.6 -46.4 -22.6 2 7 A T E -A 21 0A 65 19,-0.3 2,-0.3 17,-0.0 19,-0.2 -0.531 360.0-155.3-117.9-176.7 72.1 -43.7 -24.8 3 8 A X E -A 20 0A 6 17,-2.1 17,-2.5 -2,-0.2 2,-0.4 -0.964 22.9-110.7-154.7 163.0 74.6 -43.2 -27.6 4 9 A I E +A 19 0A 55 -2,-0.3 98,-2.1 15,-0.2 2,-0.3 -0.857 41.5 166.5-101.0 136.4 76.8 -40.4 -29.0 5 10 A A E -AB 18 101A 0 13,-2.1 13,-3.0 -2,-0.4 2,-0.6 -0.985 36.1-120.5-147.3 154.6 75.9 -39.1 -32.5 6 11 A A E -A 17 0A 0 94,-2.8 2,-0.4 -2,-0.3 56,-0.4 -0.867 32.4-166.5 -98.5 125.6 76.9 -36.2 -34.6 7 12 A V E -A 16 0A 14 9,-3.0 9,-2.8 -2,-0.6 2,-0.8 -0.947 19.1-148.9-118.5 132.7 73.9 -34.1 -35.6 8 13 A V E -AC 15 60A 0 52,-2.8 52,-2.0 -2,-0.4 7,-0.1 -0.893 18.6-174.7 -95.9 112.4 73.7 -31.4 -38.3 9 14 A E + 0 0 77 -2,-0.8 2,-0.3 5,-0.6 -1,-0.2 0.855 59.9 1.8 -79.0 -38.8 71.1 -29.1 -36.8 10 15 A E S > S- 0 0 98 4,-0.2 3,-2.9 48,-0.1 -1,-0.2 -0.949 98.0 -58.5-146.4 165.4 70.7 -26.6 -39.6 11 16 A A T 3 S- 0 0 54 -2,-0.3 37,-0.3 1,-0.3 36,-0.1 -0.157 122.8 -2.2 -47.3 129.6 71.9 -25.9 -43.2 12 17 A N T 3 S+ 0 0 116 35,-2.8 -1,-0.3 1,-0.2 36,-0.2 0.567 101.3 144.7 62.1 10.6 75.7 -25.5 -43.2 13 18 A G < - 0 0 6 -3,-2.9 -1,-0.2 34,-0.4 2,-0.0 -0.245 54.5 -91.4 -74.5 166.7 75.7 -26.0 -39.5 14 19 A P - 0 0 79 0, 0.0 2,-1.0 0, 0.0 -5,-0.6 -0.287 42.3 -96.9 -74.3 163.0 78.5 -27.8 -37.6 15 20 A F E -A 8 0A 31 -7,-0.1 2,-0.6 289,-0.1 -7,-0.2 -0.735 47.0-155.4 -81.3 107.5 78.5 -31.5 -36.8 16 21 A V E -A 7 0A 38 -9,-2.8 -9,-3.0 -2,-1.0 2,-0.4 -0.787 8.1-137.8 -94.3 118.6 77.2 -31.4 -33.2 17 22 A L E +A 6 0A 78 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.590 33.1 175.0 -73.2 127.7 78.0 -34.3 -30.9 18 23 A R E -A 5 0A 54 -13,-3.0 -13,-2.1 -2,-0.4 2,-0.7 -0.964 35.2-128.7-135.5 149.4 74.9 -35.2 -28.9 19 24 A K E +A 4 0A 144 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.894 45.8 167.4 -98.5 114.1 74.0 -37.9 -26.4 20 25 A L E -A 3 0A 24 -17,-2.5 -17,-2.1 -2,-0.7 491,-0.1 -0.758 43.1 -70.4-124.3 170.6 70.7 -39.3 -27.6 21 26 A A E -A 2 0A 39 489,-0.3 -19,-0.3 -2,-0.2 -1,-0.1 -0.327 53.6-117.8 -59.5 136.0 68.5 -42.3 -27.1 22 27 A R - 0 0 89 -21,-2.3 -1,-0.1 1,-0.1 489,-0.1 -0.657 34.6-110.9 -79.0 130.2 70.1 -45.5 -28.3 23 28 A P - 0 0 29 0, 0.0 81,-0.1 0, 0.0 -1,-0.1 -0.192 25.4-142.6 -59.5 151.8 68.0 -47.1 -31.1 24 29 A Q - 0 0 166 81,-0.1 2,-0.3 6,-0.0 81,-0.1 -0.975 20.6-113.7-120.2 132.1 66.2 -50.3 -30.5 25 30 A P - 0 0 33 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.472 26.9-154.5 -69.9 124.9 65.9 -53.0 -33.2 26 31 A A > - 0 0 45 -2,-0.3 3,-2.5 1,-0.2 48,-0.2 -0.350 47.6 -61.4 -86.7 173.0 62.4 -53.7 -34.5 27 32 A P T 3 S+ 0 0 62 0, 0.0 49,-0.2 0, 0.0 -1,-0.2 -0.317 130.7 23.7 -56.8 138.9 61.4 -57.1 -36.0 28 33 A G T 3 S+ 0 0 14 47,-2.6 80,-2.5 1,-0.3 81,-0.3 0.334 109.0 98.3 88.1 -9.5 63.6 -57.7 -39.1 29 34 A Q E < -D 107 0B 41 -3,-2.5 45,-2.8 78,-0.3 2,-0.3 -0.708 55.3-154.8-110.5 163.3 66.3 -55.3 -37.8 30 35 A V E -DE 106 73B 0 76,-2.3 76,-2.7 -2,-0.2 2,-0.6 -0.950 24.0-119.7-131.1 149.8 69.6 -55.7 -36.0 31 36 A L E -DE 105 72B 12 41,-3.3 40,-2.6 -2,-0.3 41,-1.1 -0.842 29.9-155.9 -94.0 120.4 71.4 -53.2 -33.8 32 37 A V E -DE 104 70B 0 72,-3.0 72,-1.5 -2,-0.6 2,-0.9 -0.845 12.6-147.2-102.2 128.3 74.8 -52.3 -35.3 33 38 A Q E -DE 103 69B 73 36,-3.7 36,-2.4 -2,-0.5 2,-0.4 -0.844 30.7-137.3 -89.5 108.5 77.5 -51.0 -33.1 34 39 A I E + E 0 68B 0 68,-2.0 34,-0.3 -2,-0.9 3,-0.1 -0.573 34.5 168.6 -76.0 123.0 79.2 -48.8 -35.7 35 40 A E E S+ 0 0 53 32,-2.0 296,-1.4 -2,-0.4 295,-1.3 0.726 71.6 21.1-102.0 -29.4 83.0 -48.9 -35.8 36 41 A A E -FE 329 67B 1 31,-2.3 31,-1.6 293,-0.3 2,-0.5 -0.998 62.9-157.4-144.3 136.5 83.6 -47.0 -39.1 37 42 A S E -FE 328 66B 0 291,-2.9 291,-3.3 -2,-0.3 2,-0.4 -0.964 15.9-142.1-116.3 122.0 81.4 -44.6 -41.0 38 43 A G E -FE 327 65B 0 27,-1.3 27,-1.2 -2,-0.5 26,-0.6 -0.717 16.6-143.5 -87.7 129.6 82.0 -44.1 -44.7 39 44 A T - 0 0 0 287,-2.4 287,-0.2 -2,-0.4 3,-0.1 -0.438 15.4-172.7 -88.5 162.6 81.6 -40.6 -46.1 40 45 A N >> - 0 0 5 -2,-0.1 3,-1.6 1,-0.1 4,-0.7 -0.983 36.5-115.1-152.3 145.3 80.3 -39.5 -49.5 41 46 A P H >> S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.848 111.8 66.3 -48.8 -39.2 80.1 -36.2 -51.3 42 47 A L H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.846 89.8 65.1 -54.2 -35.9 76.3 -36.3 -51.1 43 48 A D H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.882 102.0 48.9 -54.3 -40.8 76.4 -36.0 -47.3 44 49 A A H S+ 0 0 103 -4,-1.3 5,-2.7 1,-0.2 -2,-0.2 0.897 111.8 47.3 -65.1 -37.8 75.2 -31.5 -50.2 46 51 A I H ><5S+ 0 0 3 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.883 107.9 55.2 -68.8 -39.2 72.7 -32.6 -47.6 47 52 A R H 3<5S+ 0 0 51 -4,-2.3 -35,-2.8 1,-0.3 -34,-0.4 0.876 107.8 49.7 -60.8 -38.0 74.5 -30.7 -44.9 48 53 A A T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 -37,-0.3 -2,-0.2 0.495 115.3-120.4 -79.4 -3.5 74.2 -27.6 -47.0 49 54 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.823 84.0 112.9 68.0 31.9 70.5 -28.3 -47.4 50 55 A E < + 0 0 137 -5,-2.7 -4,-0.2 -6,-0.2 3,-0.1 -0.078 42.9 93.3-125.6 34.1 70.9 -28.5 -51.2 51 56 A A >> + 0 0 13 -6,-0.2 3,-1.7 -5,-0.2 4,-0.6 -0.584 37.3 162.1-126.7 68.7 70.2 -32.2 -51.8 52 57 A P G >4 S+ 0 0 97 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.844 74.8 60.6 -55.4 -38.0 66.4 -32.4 -52.6 53 58 A H G 34 S+ 0 0 96 1,-0.2 -2,-0.0 -3,-0.1 40,-0.0 0.685 98.9 59.8 -65.2 -17.6 66.8 -35.9 -54.2 54 59 A A G <4 S- 0 0 0 -3,-1.7 40,-3.2 -12,-0.1 -1,-0.2 0.700 88.9-151.2 -83.7 -21.1 68.1 -37.2 -50.9 55 60 A Q << + 0 0 45 -3,-1.1 40,-0.2 -4,-0.6 -2,-0.1 0.913 48.6 136.6 48.7 48.7 65.0 -36.3 -49.0 56 61 A Q - 0 0 14 -5,-0.5 -1,-0.2 38,-0.2 -7,-0.1 -0.693 33.1-173.2-125.5 77.0 67.0 -35.8 -45.8 57 62 A P - 0 0 76 0, 0.0 38,-0.1 0, 0.0 -10,-0.0 -0.312 29.6 -73.7 -69.7 156.7 65.8 -32.6 -44.1 58 63 A L S S+ 0 0 46 -12,-0.1 2,-0.2 2,-0.1 -49,-0.1 -0.632 100.5 57.9 -98.2 158.8 67.6 -31.2 -41.0 59 64 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -50,-0.2 0.531 86.9 128.5 -68.8 155.3 68.1 -31.6 -38.2 60 65 A A B -C 8 0A 18 -52,-2.0 -52,-2.8 -2,-0.2 2,-0.6 -0.983 63.2-106.9-171.6 160.5 69.5 -35.1 -38.8 61 66 A I - 0 0 19 -2,-0.3 37,-1.2 -54,-0.2 31,-0.2 -0.876 45.2-158.7 -95.3 122.5 72.3 -37.5 -38.4 62 67 A L + 0 0 0 -2,-0.6 38,-2.1 -56,-0.4 -56,-0.2 -0.329 41.0 93.9 -97.2-179.1 74.1 -37.9 -41.7 63 68 A G - 0 0 0 35,-0.3 36,-1.3 29,-0.3 37,-0.2 0.303 41.2-156.9 104.3 127.6 76.4 -40.5 -43.2 64 69 A X + 0 0 0 -26,-0.6 26,-2.1 34,-0.2 27,-1.2 0.753 67.3 62.6-107.2 -32.5 75.2 -43.3 -45.5 65 70 A D E +EG 38 89B 0 -27,-1.2 -27,-1.3 24,-0.2 2,-0.3 -0.729 58.2 175.0-100.3 147.5 77.8 -46.1 -45.3 66 71 A L E -EG 37 88B 0 22,-2.0 22,-2.0 -2,-0.3 2,-0.3 -0.955 20.4-169.6-146.4 165.4 78.8 -48.2 -42.2 67 72 A A E +EG 36 87B 0 -31,-1.6 -31,-2.3 -2,-0.3 -32,-2.0 -0.935 39.6 107.1-152.2 129.0 80.9 -51.1 -41.0 68 73 A G E -EG 34 86B 0 18,-2.7 18,-2.4 -2,-0.3 2,-0.4 -0.843 58.6 -65.3-170.2-150.5 80.6 -52.5 -37.5 69 74 A T E -EG 33 85B 29 -36,-2.4 -36,-3.7 16,-0.3 2,-0.4 -0.971 37.1-117.1-130.9 143.0 79.4 -55.3 -35.3 70 75 A V E +E 32 0B 1 14,-2.5 13,-3.2 -2,-0.4 -38,-0.2 -0.651 34.8 168.3 -77.2 126.0 76.0 -56.7 -34.5 71 76 A V E + 0 0 50 -40,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.496 65.6 16.9-116.0 -9.7 75.3 -56.2 -30.8 72 77 A A E -E 31 0B 29 -41,-1.1 -41,-3.3 9,-0.1 2,-0.4 -0.968 64.0-148.5-160.9 146.9 71.6 -57.0 -30.7 73 78 A V E -E 30 0B 49 -2,-0.3 -43,-0.2 -43,-0.3 3,-0.1 -0.968 13.9-136.7-124.5 136.3 69.1 -58.7 -33.0 74 79 A G > - 0 0 7 -45,-2.8 3,-0.8 -2,-0.4 -48,-0.1 -0.263 42.5 -75.6 -80.6 173.6 65.4 -57.9 -33.4 75 80 A P T 3 S+ 0 0 79 0, 0.0 -47,-2.6 0, 0.0 -46,-0.2 -0.238 114.1 29.1 -65.4 160.4 62.7 -60.6 -33.6 76 81 A E T 3 S+ 0 0 162 -49,-0.2 2,-0.5 1,-0.2 -2,-0.1 0.707 89.6 124.8 62.8 22.7 62.2 -62.5 -36.8 77 82 A V < + 0 0 26 -3,-0.8 -1,-0.2 1,-0.1 -48,-0.1 -0.960 16.3 149.8-118.1 123.8 65.9 -62.2 -37.8 78 83 A D + 0 0 152 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.369 58.5 81.1-128.3 -1.2 68.0 -65.3 -38.5 79 84 A S S S+ 0 0 65 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.654 99.0 34.2 -81.5 -16.3 70.5 -63.9 -41.0 80 85 A F - 0 0 11 32,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.994 64.1-159.5-142.1 147.4 72.8 -62.4 -38.3 81 86 A R > - 0 0 195 -2,-0.3 3,-2.1 -3,-0.1 -11,-0.2 -0.829 43.5 -79.7-120.1 160.2 73.8 -63.2 -34.8 82 87 A V T 3 S+ 0 0 98 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.375 119.0 31.6 -59.1 130.8 75.2 -61.0 -32.0 83 88 A G T 3 S+ 0 0 50 -13,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.171 82.3 137.4 105.8 -17.2 78.9 -60.6 -32.7 84 89 A D < - 0 0 56 -3,-2.1 -14,-2.5 -15,-0.1 2,-0.4 -0.437 51.8-132.7 -67.0 131.1 78.8 -60.7 -36.5 85 90 A A E +G 69 0B 36 -16,-0.2 29,-2.2 -2,-0.2 2,-0.3 -0.716 38.5 170.2 -83.4 131.5 80.9 -58.1 -38.2 86 91 A V E -GH 68 113B 0 -18,-2.4 -18,-2.7 -2,-0.4 2,-0.3 -0.871 22.4-168.2-138.6 170.6 78.9 -56.4 -41.0 87 92 A F E +GH 67 112B 0 25,-2.0 25,-1.4 -2,-0.3 2,-0.3 -0.975 21.8 130.5-153.8 157.9 78.9 -53.5 -43.5 88 93 A G E -GH 66 111B 0 -22,-2.0 -22,-2.0 -2,-0.3 2,-0.8 -0.954 58.0 -80.9 170.0 171.8 76.4 -51.8 -45.7 89 94 A L E +G 65 0B 0 21,-0.5 -24,-0.2 -2,-0.3 3,-0.1 -0.891 58.7 152.0 -96.0 108.4 74.5 -48.8 -47.2 90 95 A T - 0 0 9 -26,-2.1 2,-0.2 -2,-0.8 17,-0.2 0.678 48.3 -38.6-119.7 -22.3 72.0 -48.2 -44.5 91 96 A G + 0 0 0 -27,-1.2 7,-0.2 5,-0.1 6,-0.2 -0.810 59.0 127.8-170.4-147.0 70.8 -44.6 -44.2 92 97 A G S S+ 0 0 0 4,-1.1 2,-0.3 -2,-0.2 -29,-0.3 0.363 83.7 68.1 86.8 -6.5 71.6 -40.9 -44.2 93 98 A V S > S+ 0 0 0 4,-0.2 3,-2.3 1,-0.1 -1,-0.2 -0.919 86.7 26.2-140.0 164.6 68.8 -40.3 -46.7 94 99 A G T 3 S- 0 0 6 -40,-3.2 -38,-0.2 -2,-0.3 536,-0.2 0.738 129.7 -57.4 54.7 27.2 65.0 -40.3 -46.8 95 100 A G T 3 S+ 0 0 30 1,-0.3 -1,-0.3 -40,-0.2 2,-0.2 0.407 100.6 139.6 86.6 -3.8 64.7 -39.6 -43.1 96 101 A L < - 0 0 44 -3,-2.3 -4,-1.1 1,-0.1 -1,-0.3 -0.541 64.5 -98.6 -75.2 138.2 66.8 -42.7 -42.2 97 102 A Q - 0 0 59 -2,-0.2 -4,-0.2 -6,-0.2 -5,-0.2 -0.308 43.0-125.3 -56.3 136.3 69.3 -42.2 -39.3 98 103 A G - 0 0 0 -37,-1.2 -35,-0.3 -7,-0.2 -34,-0.2 -0.136 15.1-112.8 -76.4 177.4 72.8 -41.5 -40.7 99 104 A T S S+ 0 0 0 -36,-1.3 2,-2.4 1,-0.2 -36,-0.2 0.380 87.5 103.3 -95.9 5.3 75.9 -43.5 -39.7 100 105 A H S S+ 0 0 0 -38,-2.1 -94,-2.8 -37,-0.2 2,-0.3 -0.405 72.9 89.1 -80.7 60.6 77.7 -40.7 -37.9 101 106 A A B S-B 5 0A 0 -2,-2.4 -96,-0.2 -96,-0.2 -67,-0.1 -0.987 86.5-119.0-154.3 157.9 76.6 -42.4 -34.7 102 107 A Q S S+ 0 0 67 -98,-2.1 -68,-2.0 -2,-0.3 2,-0.3 0.802 99.1 22.9 -71.0 -27.4 77.8 -45.1 -32.3 103 108 A F E -D 33 0B 9 -70,-0.2 2,-0.3 -99,-0.2 -70,-0.2 -0.943 58.9-177.0-138.7 159.8 74.7 -47.3 -33.1 104 109 A A E -D 32 0B 4 -72,-1.5 -72,-3.0 -2,-0.3 2,-0.7 -0.937 24.3-136.0-158.1 131.7 72.1 -47.8 -35.8 105 110 A A E -D 31 0B 27 -2,-0.3 2,-0.4 -74,-0.2 -74,-0.2 -0.830 38.6-175.7 -89.3 116.0 69.0 -50.0 -36.0 106 111 A V E -D 30 0B 6 -76,-2.7 -76,-2.3 -2,-0.7 2,-0.3 -0.938 33.6-109.9-125.1 141.6 69.2 -51.5 -39.5 107 112 A D E > -D 29 0B 22 -2,-0.4 3,-2.3 -78,-0.2 4,-0.4 -0.475 32.6-132.1 -63.4 123.2 67.0 -53.7 -41.7 108 113 A A G > S+ 0 0 9 -80,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.779 101.4 68.3 -49.3 -33.8 68.9 -57.0 -41.9 109 114 A R G 3 S+ 0 0 97 -81,-0.3 168,-1.4 1,-0.3 -1,-0.3 0.729 94.5 56.6 -61.3 -23.9 68.4 -57.1 -45.7 110 115 A L G < S+ 0 0 8 -3,-2.3 -21,-0.5 166,-0.2 -1,-0.3 0.602 99.1 80.6 -83.3 -13.0 70.6 -54.1 -46.2 111 116 A L E < -H 88 0B 0 -3,-1.5 2,-0.3 -4,-0.4 -23,-0.2 -0.603 50.3-179.7-100.7 158.0 73.6 -55.8 -44.4 112 117 A A E -H 87 0B 0 -25,-1.4 -25,-2.0 -2,-0.2 166,-0.1 -0.979 43.8 -86.4-148.2 147.6 76.2 -58.3 -45.4 113 118 A S E -H 86 0B 61 -2,-0.3 -27,-0.3 -27,-0.2 171,-0.1 -0.263 53.3-104.7 -55.9 141.2 79.0 -59.9 -43.4 114 119 A K - 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0 0 142 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.794 49.3-178.6 -95.3 132.9 70.3 -31.7 -70.2 246 251 A H - 0 0 36 -2,-0.4 2,-0.6 -4,-0.1 -4,-0.0 -0.959 34.4-109.8-136.3 153.5 72.2 -33.4 -73.1 247 252 A K - 0 0 146 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.694 28.1-168.0 -78.3 121.5 72.2 -33.6 -76.9 248 253 A L >> + 0 0 105 -2,-0.6 3,-1.8 1,-0.2 4,-0.9 0.543 57.6 103.6 -90.7 -6.8 71.0 -37.1 -77.7 249 254 A A H >> S+ 0 0 31 1,-0.3 4,-2.6 2,-0.2 3,-1.0 0.831 73.8 60.7 -43.3 -46.2 71.9 -37.0 -81.4 250 255 A P H 3> S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.841 100.0 56.4 -54.4 -34.2 75.0 -39.2 -80.9 251 256 A L H <4>S+ 0 0 26 -3,-1.8 5,-2.3 2,-0.2 -2,-0.2 0.802 110.8 43.2 -69.4 -29.8 72.8 -42.1 -79.6 252 257 A S H X<5S+ 0 0 94 -3,-1.0 3,-1.4 -4,-0.9 -1,-0.2 0.926 112.8 51.1 -78.8 -49.1 70.7 -42.1 -82.8 253 258 A F H 3<5S+ 0 0 165 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.878 121.1 35.6 -53.9 -40.5 73.7 -41.8 -85.1 254 259 A K T 3<5S- 0 0 45 -4,-2.2 -20,-2.6 -5,-0.3 -19,-0.3 0.360 103.3-130.6 -96.3 5.1 75.3 -44.7 -83.3 255 260 A Q T < 5 + 0 0 111 -3,-1.4 -3,-0.2 -22,-0.2 -4,-0.1 0.885 59.4 153.6 46.9 42.2 72.1 -46.5 -82.7 256 261 A A < - 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