==== 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 06-SEP-94 1DOE . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.A.PALFEY,M.S.LAH,B.ENTSCH,V.MASSEY,D.P.BALLOU,M. . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 17.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 30.2 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 2 1 0 0 1 0 1 2 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 1 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 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 1 A M 0 0 112 0, 0.0 150,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.1 22.8 105.8 83.9 2 2 A K B +a 151 0A 128 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.991 360.0 155.4-145.8 143.8 20.3 103.0 83.8 3 3 A T - 0 0 8 148,-2.6 3,-0.2 -2,-0.3 25,-0.1 -0.867 41.8-119.2-148.3-180.0 17.8 101.3 81.5 4 4 A Q S S+ 0 0 50 23,-0.5 149,-2.6 1,-0.3 150,-1.8 0.896 99.0 22.1 -91.8 -53.5 16.0 98.0 81.0 5 5 A V E -de 28 154B 1 22,-2.0 24,-1.8 148,-0.2 2,-0.5 -0.950 69.8-153.7-121.5 118.0 17.3 97.0 77.5 6 6 A A E -de 29 155B 0 148,-3.0 150,-3.1 -2,-0.5 2,-0.5 -0.783 11.9-160.1 -88.7 132.5 20.5 98.4 76.1 7 7 A I E -de 30 156B 0 22,-3.2 24,-3.1 -2,-0.5 2,-0.7 -0.953 5.5-155.1-119.3 121.0 20.6 98.5 72.3 8 8 A I E +de 31 157B 7 148,-2.4 150,-1.8 -2,-0.5 24,-0.2 -0.848 65.1 24.6 -95.1 114.4 23.9 98.7 70.4 9 9 A G - 0 0 6 22,-4.0 23,-0.2 -2,-0.7 150,-0.1 0.440 58.5-137.6 104.8 127.4 23.4 100.2 67.0 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.211 62.8 112.3-109.0 40.2 20.9 102.4 65.3 11 11 A G S > S- 0 0 14 147,-0.6 4,-2.5 29,-0.0 5,-0.3 -0.216 94.5 -66.4 -90.7-165.4 20.4 100.8 62.0 12 12 A P H > S+ 0 0 15 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.920 134.3 50.9 -48.2 -52.6 17.0 99.2 61.1 13 13 A S H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.943 113.5 41.2 -51.7 -62.6 17.4 96.4 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.924 119.1 44.9 -55.8 -47.2 18.2 98.6 66.7 15 15 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.953 115.2 47.4 -65.9 -46.8 15.6 101.3 65.9 16 16 A L H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 0.956 114.8 45.9 -60.0 -47.8 12.9 98.8 65.1 17 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.954 114.5 49.0 -57.7 -50.9 13.6 96.8 68.3 18 18 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.866 110.9 49.4 -56.8 -41.0 13.7 100.0 70.3 19 19 A Q H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 111.7 48.2 -66.8 -44.0 10.5 101.3 68.9 20 20 A L H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.963 114.0 47.4 -60.4 -49.8 8.6 98.1 69.5 21 21 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 4,-0.4 0.884 110.0 52.1 -59.7 -44.5 9.9 98.0 73.1 22 22 A H H ><5S+ 0 0 63 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.948 105.5 53.6 -60.3 -49.6 9.1 101.6 73.8 23 23 A K H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 109.6 50.4 -56.8 -26.0 5.5 101.3 72.6 24 24 A A T 3<5S- 0 0 40 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.463 123.2-102.7 -91.0 -4.2 5.1 98.3 75.0 25 25 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.7 -4,-0.4 -3,-0.2 0.630 76.4 134.1 94.0 17.0 6.5 100.2 78.0 26 26 A I < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.872 53.9-129.2-104.3 113.5 10.0 98.7 78.2 27 27 A D + 0 0 95 -2,-0.7 -22,-2.0 -3,-0.1 -23,-0.5 -0.359 34.5 172.5 -62.8 141.3 12.7 101.3 78.6 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.994 21.1-157.0-152.9 142.2 15.5 101.0 76.1 29 29 A V E -d 6 0B 6 -24,-1.8 -22,-3.2 -2,-0.3 2,-0.4 -0.977 12.8-148.1-121.6 135.1 18.6 103.1 75.2 30 30 A I E -df 7 120B 0 89,-1.9 91,-3.3 -2,-0.4 2,-0.5 -0.885 4.5-160.3-106.8 134.2 20.4 103.0 71.9 31 31 A L E -df 8 121B 2 -24,-3.1 -22,-4.0 -2,-0.4 2,-0.4 -0.956 12.1-176.5-110.5 122.1 24.1 103.5 71.4 32 32 A E E - f 0 122B 15 89,-2.7 92,-2.5 -2,-0.5 91,-0.6 -0.991 22.3-154.6-123.9 130.8 25.3 104.4 67.9 33 33 A R S S+ 0 0 152 -2,-0.4 -1,-0.1 90,-0.3 2,-0.1 0.819 78.1 54.3 -67.0 -36.3 28.9 104.8 66.9 34 34 A Q S S- 0 0 50 1,-0.1 89,-1.6 89,-0.1 90,-0.2 -0.195 90.9 -95.3 -92.4-176.1 28.1 107.2 64.0 35 35 A T > - 0 0 42 87,-0.2 4,-2.0 88,-0.1 3,-0.3 -0.629 37.7-110.7 -94.4 159.6 26.2 110.4 63.5 36 36 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.826 118.9 55.2 -58.7 -35.1 22.5 110.3 62.3 37 37 A D H > S+ 0 0 127 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.894 105.2 51.3 -68.9 -36.1 23.5 111.8 59.0 38 38 A Y H >4 S+ 0 0 132 -3,-0.3 3,-1.2 2,-0.2 4,-0.3 0.945 111.3 47.1 -66.7 -47.6 26.1 109.0 58.4 39 39 A V H >< S+ 0 0 8 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.937 110.7 53.6 -59.3 -43.7 23.5 106.3 59.1 40 40 A L H 3< S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.638 97.8 66.4 -67.3 -13.3 21.0 108.1 56.8 41 41 A G T << S+ 0 0 54 -3,-1.2 2,-0.4 -4,-0.7 -1,-0.3 0.535 74.8 107.3 -87.3 -3.3 23.5 108.2 54.0 42 42 A R < - 0 0 69 -3,-1.6 2,-0.6 -4,-0.3 61,-0.0 -0.608 51.1-165.0 -82.3 124.0 23.5 104.4 53.5 43 43 A I + 0 0 40 -2,-0.4 3,-0.1 59,-0.1 -2,-0.1 -0.967 37.5 124.1-103.9 121.5 21.7 103.2 50.4 44 44 A R + 0 0 110 -2,-0.6 -1,-0.1 1,-0.4 2,-0.1 0.076 47.9 25.0-137.6-103.8 21.1 99.5 50.7 45 45 A A + 0 0 28 1,-0.1 57,-2.8 56,-0.1 -1,-0.4 -0.263 37.1 174.3 -74.7 154.6 18.0 97.3 50.6 46 46 A G + 0 0 7 55,-0.3 54,-2.1 1,-0.1 2,-0.5 0.509 53.3 85.3-136.4 -12.1 14.7 98.1 48.8 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.841 51.2-172.2-106.0 123.8 12.5 94.9 49.1 48 48 A L E -I 98 0C 0 50,-3.4 50,-3.2 -2,-0.5 2,-0.1 -0.932 15.1-136.1-115.4 135.7 10.4 94.3 52.2 49 49 A E > - 0 0 6 -2,-0.4 4,-2.2 48,-0.2 3,-0.4 -0.316 30.2-105.5 -79.8 166.8 8.4 91.1 53.0 50 50 A Q H > S+ 0 0 55 336,-0.7 4,-1.9 46,-0.4 5,-0.2 0.892 120.2 56.0 -59.8 -43.7 4.8 91.1 54.3 51 51 A G H > S+ 0 0 20 335,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.866 108.6 46.3 -58.9 -37.7 6.0 90.2 57.7 52 52 A M H > S+ 0 0 2 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.889 107.9 56.5 -73.5 -36.1 8.3 93.2 57.8 53 53 A V H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.867 108.9 48.1 -61.8 -34.7 5.5 95.5 56.6 54 54 A D H X S+ 0 0 64 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.814 107.2 54.3 -76.1 -31.0 3.3 94.3 59.5 55 55 A L H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.821 106.8 52.5 -71.4 -31.9 6.0 94.8 62.1 56 56 A L H <>S+ 0 0 5 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.939 110.7 47.4 -68.9 -43.0 6.4 98.4 60.8 57 57 A R H ><5S+ 0 0 133 -4,-1.6 3,-1.7 1,-0.2 5,-0.2 0.908 110.1 52.5 -63.2 -42.0 2.6 98.9 61.3 58 58 A E H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 106.6 52.4 -62.2 -36.8 2.8 97.4 64.7 59 59 A A T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.460 116.1-121.6 -78.2 0.4 5.5 99.8 65.6 60 60 A G T < 5S+ 0 0 48 -3,-1.7 3,-0.3 1,-0.1 -3,-0.2 0.635 82.0 116.9 67.9 21.1 3.2 102.5 64.4 61 61 A V < + 0 0 15 -5,-2.3 4,-0.2 -6,-0.2 -4,-0.2 -0.348 39.8 95.5-115.5 53.8 5.7 103.7 61.9 62 62 A D > + 0 0 39 -5,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.453 44.0 98.9-124.9 3.9 3.9 103.0 58.6 63 63 A R H > S+ 0 0 149 -3,-0.3 4,-1.1 2,-0.2 5,-0.1 0.957 92.1 39.8 -56.3 -57.6 2.1 106.1 57.5 64 64 A R H >> S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.927 116.5 51.9 -61.3 -41.1 4.8 107.2 54.9 65 65 A M H 3> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.904 105.7 53.0 -62.6 -43.7 5.3 103.6 53.8 66 66 A A H 3< S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.769 117.0 42.3 -63.1 -21.9 1.6 103.0 53.2 67 67 A R H << S+ 0 0 140 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.936 128.2 21.3 -87.6 -53.3 1.7 106.1 51.0 68 68 A D H < S+ 0 0 73 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.598 92.9 103.9 -94.6 -20.6 5.0 105.8 49.0 69 69 A G < - 0 0 18 -4,-2.3 2,-0.5 -5,-0.4 31,-0.2 -0.362 65.3-132.2 -65.9 148.5 5.9 102.2 49.0 70 70 A L E -J 99 0C 44 29,-2.5 29,-3.0 144,-0.1 2,-0.6 -0.916 11.0-144.4-102.9 126.7 5.2 100.2 45.9 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.817 18.8-160.4 -89.2 121.9 3.4 96.8 46.3 72 72 A H E -J 97 0C 10 25,-2.8 25,-1.7 -2,-0.6 126,-0.1 -0.912 18.3-172.8-106.8 138.8 4.8 94.3 43.7 73 73 A E S S+ 0 0 85 -2,-0.4 16,-1.7 23,-0.2 15,-0.8 0.427 70.6 12.9-105.2 -5.8 2.9 91.2 42.7 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.954 56.2-148.5-160.0 169.9 5.6 89.6 40.6 75 75 A V E -K 86 0D 3 11,-1.2 11,-2.9 -2,-0.3 2,-0.3 -0.935 22.0-131.7-140.8 153.4 9.4 89.7 39.6 76 76 A E E -Kl 85 200D 18 123,-2.8 125,-2.9 -2,-0.3 2,-0.4 -0.870 10.2-160.5-114.3 151.7 10.9 88.8 36.3 77 77 A I E -Kl 84 201D 5 7,-2.8 7,-3.1 -2,-0.3 2,-0.5 -0.998 7.6-164.1-131.0 121.4 13.9 86.6 35.5 78 78 A A E +Kl 83 202D 5 123,-2.8 125,-2.9 -2,-0.4 2,-0.3 -0.935 19.9 153.1-110.6 128.7 15.6 86.8 32.3 79 79 A F E > +K 82 0D 6 3,-1.9 3,-2.0 -2,-0.5 125,-0.1 -0.977 64.5 4.4-149.1 145.9 18.0 84.2 31.0 80 80 A A T 3 S- 0 0 71 123,-0.5 124,-0.1 -2,-0.3 3,-0.1 0.820 129.4 -53.5 46.3 47.1 19.0 83.1 27.5 81 81 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.143 116.3 100.9 81.1 -20.5 17.1 85.9 25.8 82 82 A Q E < -K 79 0D 79 -3,-2.0 -3,-1.9 166,-0.0 2,-0.5 -0.678 59.8-143.7-103.4 154.1 13.7 85.2 27.4 83 83 A R E -K 78 0D 70 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.971 15.5-169.2-115.7 123.0 11.9 86.9 30.2 84 84 A R E -K 77 0D 70 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.4 -0.959 10.1-147.3-116.5 128.8 9.9 84.8 32.6 85 85 A R E -K 76 0D 106 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.795 1.1-150.7 -97.0 135.1 7.6 86.3 35.2 86 86 A I E -K 75 0D 0 -11,-2.9 2,-1.4 -2,-0.4 -11,-1.2 -0.926 12.6-144.5-102.8 117.9 6.9 84.8 38.6 87 87 A D E > -K 74 0D 41 -2,-0.6 4,-2.6 1,-0.2 -13,-0.2 -0.707 20.2-177.7 -82.3 96.2 3.4 85.7 39.8 88 88 A L H > S+ 0 0 0 -2,-1.4 4,-2.6 -15,-0.8 7,-0.4 0.959 78.1 50.7 -60.0 -49.6 4.2 86.0 43.5 89 89 A K H >>S+ 0 0 79 -16,-1.7 5,-3.5 2,-0.2 4,-0.6 0.920 116.0 39.1 -55.6 -50.8 0.6 86.8 44.4 90 90 A R H >45S+ 0 0 145 -17,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.946 121.1 44.9 -67.2 -45.0 -0.9 83.8 42.6 91 91 A L H 3<5S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.2 292,-0.2 0.706 114.1 45.6 -74.7 -23.4 1.9 81.4 43.5 92 92 A S H 3<5S- 0 0 22 -4,-2.6 -1,-0.2 3,-0.3 -2,-0.2 0.467 119.6 -98.0-100.1 -1.3 2.2 82.2 47.2 93 93 A G T <<5S- 0 0 73 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.799 87.1 -40.4 90.7 29.7 -1.5 82.2 48.0 94 94 A G S > - 0 0 1 113,-0.3 4,-1.8 -2,-0.3 3,-0.7 -0.135 15.1-127.6 -55.2 149.0 14.1 101.9 50.5 102 102 A Q H 3> S+ 0 0 19 -57,-2.8 4,-2.7 1,-0.3 5,-0.2 0.844 110.8 59.2 -63.3 -33.9 16.0 101.0 53.6 103 103 A T H 3> S+ 0 0 27 -58,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.834 105.4 50.3 -62.0 -36.9 17.0 104.7 54.0 104 104 A E H <> S+ 0 0 59 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.890 109.5 48.3 -67.3 -48.6 13.3 105.5 54.2 105 105 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.959 112.5 49.7 -58.2 -49.8 12.5 102.9 56.8 106 106 A T H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.939 112.2 48.4 -56.1 -44.1 15.5 104.1 58.9 107 107 A R H X S+ 0 0 68 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.847 109.8 51.8 -63.5 -39.2 14.3 107.8 58.5 108 108 A D H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.913 113.6 43.9 -66.7 -40.5 10.8 106.9 59.5 109 109 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.876 110.5 53.4 -70.9 -42.1 12.0 105.1 62.7 110 110 A M H X S+ 0 0 26 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.874 112.4 46.5 -60.6 -37.5 14.5 107.8 63.6 111 111 A E H X S+ 0 0 92 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.898 112.1 49.6 -68.4 -47.5 11.7 110.4 63.4 112 112 A A H X S+ 0 0 26 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.906 111.3 50.3 -61.0 -40.0 9.3 108.2 65.4 113 113 A R H X>S+ 0 0 2 -4,-2.8 5,-1.1 2,-0.2 4,-0.6 0.905 110.1 50.1 -66.6 -42.3 12.0 107.7 68.1 114 114 A E H ><5S+ 0 0 163 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.943 109.4 50.6 -59.8 -50.5 12.7 111.4 68.3 115 115 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 110.1 48.5 -57.0 -43.6 9.1 112.3 68.7 116 116 A C H 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.552 108.1-127.8 -76.8 -7.3 8.4 109.8 71.5 117 117 A G T <<5 + 0 0 60 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.578 47.9 159.6 74.8 13.2 11.6 111.1 73.3 118 118 A A < - 0 0 19 -5,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.281 48.8 -91.6 -68.7 155.0 13.4 107.7 73.9 119 119 A T + 0 0 65 -91,-0.5 -89,-1.9 2,-0.0 2,-0.4 -0.515 47.3 167.7 -73.3 123.5 17.1 107.8 74.5 120 120 A T E -f 30 0B 42 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.990 16.0-162.1-133.1 124.1 19.5 107.6 71.6 121 121 A V E > -f 31 0B 14 -91,-3.3 -89,-2.7 -2,-0.4 3,-0.5 -0.892 10.5-168.8-111.0 103.4 23.2 108.3 72.1 122 122 A Y E 3 S+f 32 0B 43 -2,-0.7 -89,-0.2 1,-0.2 -87,-0.2 -0.488 70.9 31.9 -84.5 162.7 25.0 109.0 68.8 123 123 A Q T 3 S+ 0 0 123 -89,-1.6 2,-1.0 -91,-0.6 21,-0.4 0.846 75.2 167.9 57.2 36.1 28.8 109.2 68.6 124 124 A A < - 0 0 2 -92,-2.5 3,-0.4 -3,-0.5 -1,-0.3 -0.741 23.8-155.1 -80.5 103.2 28.9 106.7 71.4 125 125 A A E +B 142 0A 32 17,-3.0 17,-2.7 -2,-1.0 -91,-0.0 -0.542 56.8 4.0 -88.3 153.3 32.6 105.9 71.1 126 126 A E E S- 0 0 76 15,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.891 77.1-160.8 43.0 58.7 34.5 102.8 72.2 127 127 A V E - 0 0 17 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.497 11.1-175.0 -69.0 134.0 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2,-0.2 5,-0.2 0.909 104.8 49.7 -63.1 -46.9 17.7 82.0 59.1 337 337 A W H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.914 111.5 48.9 -64.5 -35.7 18.9 78.7 57.6 338 338 A K H X S+ 0 0 112 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.891 113.7 46.6 -70.6 -34.5 16.0 78.5 55.2 339 339 A A H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.862 110.9 52.6 -71.7 -39.3 16.6 82.1 54.1 340 340 A E H X S+ 0 0 8 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.905 110.5 48.7 -60.4 -40.5 20.3 81.4 53.8 341 341 A R H X S+ 0 0 112 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.897 111.2 48.5 -68.2 -40.7 19.5 78.4 51.6 342 342 A F H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.950 113.1 48.2 -63.1 -44.3 17.1 80.4 49.4 343 343 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.850 112.0 48.9 -62.7 -38.8 19.7 83.2 49.0 344 344 A W H X S+ 0 0 118 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.941 111.7 49.0 -66.6 -49.4 22.4 80.7 48.1 345 345 A W H X S+ 0 0 21 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.962 112.6 47.2 -55.0 -56.2 20.2 79.0 45.6 346 346 A M H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.891 113.1 50.9 -52.3 -44.6 19.2 82.3 43.9 347 347 A T H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.933 108.9 49.3 -62.4 -45.8 22.8 83.4 43.9 348 348 A S H < S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 114.8 43.4 -69.5 -24.8 24.1 80.2 42.3 349 349 A V H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.751 117.3 42.1 -92.3 -23.4 21.6 80.2 39.4 350 350 A L H < S+ 0 0 1 -4,-1.7 -146,-0.3 -5,-0.2 2,-0.2 0.644 103.5 72.3 -95.7 -17.6 21.7 83.9 38.5 351 351 A H S < S- 0 0 0 -4,-1.5 2,-0.6 -5,-0.2 -148,-0.1 -0.668 75.5-124.5-102.3 155.1 25.4 84.6 38.6 352 352 A R - 0 0 65 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.849 27.5-148.6 -97.1 119.5 28.3 83.6 36.4 353 353 A F > - 0 0 55 -2,-0.6 3,-0.7 -5,-0.1 -170,-0.0 -0.705 13.8-124.3 -89.6 144.5 31.1 81.8 38.3 354 354 A P T 3 S+ 0 0 88 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.925 97.6 29.9 -53.8 -57.9 34.7 82.1 37.3 355 355 A D T 3 S+ 0 0 151 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.390 79.3 154.1-108.5 63.5 36.0 78.5 36.8 356 356 A T < - 0 0 48 -3,-0.7 2,-0.0 -2,-0.7 -4,-0.0 -0.744 33.7-140.6 -92.7 131.8 32.9 76.7 35.7 357 357 A D > - 0 0 95 -2,-0.4 4,-1.4 1,-0.1 -1,-0.0 -0.230 32.7 -98.6 -77.8 171.7 33.1 73.5 33.6 358 358 A A H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.900 120.3 55.8 -59.2 -45.6 30.7 72.8 30.7 359 359 A F H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.973 106.7 48.7 -52.2 -57.7 28.5 70.4 32.8 360 360 A S H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.815 109.2 53.7 -53.7 -36.4 27.8 73.0 35.6 361 361 A Q H X S+ 0 0 90 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.965 109.9 46.7 -64.9 -47.9 26.9 75.7 33.0 362 362 A R H X S+ 0 0 170 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.876 112.5 50.4 -61.4 -38.0 24.3 73.4 31.4 363 363 A I H X S+ 0 0 76 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.899 108.6 52.6 -66.0 -39.0 23.0 72.4 34.9 364 364 A Q H X S+ 0 0 20 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.900 111.6 45.6 -62.1 -43.8 22.7 76.1 35.8 365 365 A Q H X S+ 0 0 61 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.934 113.2 50.0 -65.5 -43.3 20.7 76.8 32.7 366 366 A T H X S+ 0 0 70 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.843 103.5 59.5 -66.9 -30.3 18.6 73.7 33.3 367 367 A E H X S+ 0 0 57 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.946 109.9 44.2 -60.8 -48.0 17.8 74.7 36.9 368 368 A L H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.942 112.5 50.6 -62.8 -48.3 16.3 77.9 35.5 369 369 A E H X S+ 0 0 85 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.866 116.1 42.7 -59.4 -37.9 14.4 76.1 32.8 370 370 A Y H >X S+ 0 0 124 -4,-2.7 4,-1.1 2,-0.2 3,-0.9 0.980 117.3 43.0 -72.7 -57.6 13.0 73.7 35.3 371 371 A Y H 3< S+ 0 0 61 -4,-2.9 10,-0.2 -5,-0.2 -2,-0.2 0.812 117.6 46.9 -60.3 -29.7 12.1 76.1 38.1 372 372 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.609 116.8 42.5 -87.8 -12.3 10.7 78.7 35.7 373 373 A G H << S+ 0 0 55 -3,-0.9 2,-0.5 -4,-0.7 -2,-0.2 0.448 98.5 80.6-113.0 -0.9 8.5 76.3 33.7 374 374 A S X - 0 0 25 -4,-1.1 4,-3.5 1,-0.1 5,-0.3 -0.913 67.6-144.8-111.9 132.7 7.1 74.1 36.4 375 375 A E H > S+ 0 0 107 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.890 107.9 45.4 -59.2 -39.1 4.1 75.2 38.5 376 376 A A H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.883 113.2 50.4 -71.8 -37.3 5.7 73.5 41.5 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.7 1,-0.2 3,-0.6 0.957 109.6 50.1 -64.5 -47.8 9.1 75.0 40.7 378 378 A L H 3X S+ 0 0 17 -4,-3.5 4,-2.9 1,-0.3 -1,-0.2 0.857 107.2 55.7 -58.5 -36.7 7.6 78.5 40.5 379 379 A A H 3X S+ 0 0 30 -4,-1.5 4,-2.6 -5,-0.3 5,-0.3 0.849 102.6 55.1 -67.8 -31.1 5.9 78.0 43.8 380 380 A T H