==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAR-99 4CD2 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY,N.GALITSKY,D.RAK,J.R.LUFT,W.PANGBORN,S.F.QUEENER . 203 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 10.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 24 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A K 0 0 115 0, 0.0 2,-0.1 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 168.7 25.5 68.2 39.3 2 6 A S - 0 0 45 132,-0.1 114,-0.6 133,-0.0 2,-0.4 -0.430 360.0-130.4 -76.3 156.4 23.2 68.6 36.2 3 7 A L E -ab 116 134A 0 130,-2.0 132,-1.9 128,-0.1 133,-0.8 -0.852 16.0-158.8-105.8 140.8 19.7 67.4 36.2 4 8 A T E -ab 117 136A 6 112,-2.3 114,-2.2 -2,-0.4 2,-0.3 -0.983 6.2-150.0-116.8 141.1 18.4 65.2 33.3 5 9 A L E -ab 118 137A 0 131,-2.4 133,-3.0 -2,-0.4 2,-0.4 -0.846 8.3-162.8-109.8 142.1 14.6 64.9 32.6 6 10 A I E + b 0 138A 2 112,-2.3 2,-0.3 -2,-0.3 133,-0.2 -0.991 20.9 154.2-128.9 134.1 13.2 61.7 31.0 7 11 A V E - b 0 139A 2 131,-2.3 133,-2.0 -2,-0.4 2,-0.5 -0.984 38.0-144.7-158.9 149.0 9.8 61.6 29.4 8 12 A A E + b 0 140A 6 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.994 39.5 164.3-115.6 115.4 7.7 59.8 26.7 9 13 A L E - b 0 141A 0 131,-2.5 133,-2.5 -2,-0.5 6,-0.2 -0.952 33.7-113.9-135.6 157.9 5.4 62.4 25.0 10 14 A T E > - b 0 142A 2 4,-3.0 3,-2.4 -2,-0.3 133,-0.2 -0.241 41.1 -96.3 -85.5 177.1 3.3 62.6 21.9 11 15 A T T 3 S+ 0 0 58 131,-1.2 132,-0.1 133,-0.5 134,-0.1 0.868 129.3 51.7 -56.9 -35.3 3.9 65.0 18.9 12 16 A S T 3 S- 0 0 56 132,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.181 125.0-105.6 -88.4 15.9 1.4 67.3 20.5 13 17 A Y < + 0 0 10 -3,-2.4 139,-2.9 1,-0.3 2,-0.3 0.609 64.7 159.9 71.4 16.5 3.3 67.1 23.8 14 18 A G E +I 151 0B 0 137,-0.2 -4,-3.0 1,-0.2 137,-0.3 -0.584 17.1 177.9 -71.8 128.9 0.7 64.9 25.4 15 19 A I E + 0 0 30 135,-3.7 2,-0.3 -2,-0.3 136,-0.2 0.819 63.4 17.4-100.1 -45.2 2.2 63.1 28.4 16 20 A G E -I 150 0B 17 134,-1.1 133,-1.5 6,-0.1 134,-1.4 -0.964 63.5-151.0-134.9 149.0 -0.9 61.2 29.8 17 21 A R E -I 148 0B 101 -2,-0.3 131,-0.2 131,-0.2 4,-0.1 -0.305 42.5 -78.8-105.6-170.4 -4.3 60.1 28.5 18 22 A S S S+ 0 0 81 129,-0.6 2,-0.1 -2,-0.1 130,-0.1 0.733 108.4 41.8 -62.6 -38.0 -7.8 59.4 30.1 19 23 A N S S- 0 0 105 1,-0.1 2,-0.5 0, 0.0 -2,-0.2 -0.220 101.2 -72.9 -98.7-169.6 -7.0 55.8 31.4 20 24 A S S S- 0 0 97 1,-0.3 -2,-0.1 -2,-0.1 -1,-0.1 -0.834 112.4 -1.1 -96.3 129.6 -4.0 54.2 33.2 21 25 A L S S- 0 0 114 -2,-0.5 -1,-0.3 1,-0.1 -5,-0.1 0.960 74.3-171.2 52.1 58.6 -1.0 53.5 31.2 22 26 A P S S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.636 76.1 44.5 -47.6 -23.5 -2.6 54.9 28.0 23 27 A W S S- 0 0 21 -6,-0.1 2,-0.7 123,-0.0 -2,-0.0 -0.978 76.1-157.7-135.9 118.1 0.4 53.6 26.0 24 28 A K + 0 0 113 -2,-0.4 2,-0.4 165,-0.1 -3,-0.0 -0.865 22.5 162.6 -95.0 96.0 1.7 50.1 26.8 25 29 A L > + 0 0 14 -2,-0.7 4,-3.3 1,-0.2 5,-0.3 -0.771 20.1 176.5-134.8 99.8 5.3 49.6 25.7 26 30 A K H > S+ 0 0 150 -2,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.834 90.4 43.3 -59.9 -45.5 7.6 46.8 27.0 27 31 A K H > S+ 0 0 135 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.750 115.7 49.8 -73.8 -26.5 10.6 47.8 24.8 28 32 A E H >> S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.955 110.4 47.8 -77.2 -41.9 10.1 51.5 25.6 29 33 A I H 3X S+ 0 0 41 -4,-3.3 4,-3.3 1,-0.3 -2,-0.2 0.818 107.5 58.7 -64.1 -29.1 9.9 51.0 29.4 30 34 A S H 3X S+ 0 0 46 -4,-1.2 4,-2.7 -5,-0.3 -1,-0.3 0.828 104.2 50.0 -67.7 -28.8 13.0 48.8 29.1 31 35 A Y H - d 0 76A 13 66,-1.9 4,-1.6 -2,-0.3 23,-0.2 -0.370 42.6 -98.0 -86.9 172.4 5.9 63.5 42.2 55 59 A R H > S+ 0 0 100 21,-0.8 4,-2.2 1,-0.2 22,-0.1 0.840 120.2 54.8 -68.0 -33.6 3.4 61.5 44.3 56 60 A K H 4 S+ 0 0 136 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.861 108.9 48.6 -66.5 -39.0 1.0 60.6 41.5 57 61 A T H >> S+ 0 0 14 2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.894 109.4 52.7 -62.8 -45.1 3.9 58.9 39.5 58 62 A W H >< S+ 0 0 25 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.942 109.2 50.5 -54.7 -47.5 5.0 57.1 42.7 59 63 A E T 3< S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.523 104.5 58.1 -69.4 -11.3 1.4 55.8 43.0 60 64 A S T <4 S+ 0 0 79 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.383 80.6 99.8 -92.6 -17.2 1.3 54.6 39.4 61 65 A I S << S- 0 0 1 -3,-1.3 5,-0.1 -4,-0.5 7,-0.0 -0.719 84.1-111.6 -82.6 123.6 4.3 52.2 39.6 62 66 A P > - 0 0 55 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.199 27.0-115.3 -53.0 146.4 3.1 48.6 40.1 63 67 A L G > S+ 0 0 133 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.773 112.7 59.5 -54.7 -36.0 3.9 47.2 43.5 64 68 A Q G 3 S+ 0 0 131 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.677 112.2 41.0 -69.1 -17.7 6.3 44.6 42.3 65 69 A F G < S+ 0 0 79 -3,-1.6 4,-0.3 3,-0.1 -1,-0.2 0.220 92.4 135.4-111.0 8.2 8.5 47.4 40.7 66 70 A R < + 0 0 64 -3,-1.1 2,-0.2 -4,-0.2 -8,-0.0 -0.969 60.7 30.8-118.2 130.6 8.3 49.9 43.6 67 71 A P S S- 0 0 54 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.598 111.8-100.9 -66.9 159.5 10.6 51.5 44.7 68 72 A L > - 0 0 2 -2,-0.2 3,-1.3 1,-0.1 -2,-0.2 -0.412 48.6-112.1 -54.7 119.4 12.4 51.6 41.4 69 73 A K T 3 S+ 0 0 136 -4,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.215 88.2 4.4 -65.7 138.7 15.1 48.9 41.8 70 74 A G T 3 S+ 0 0 60 1,-0.2 -21,-0.5 -3,-0.1 2,-0.3 0.561 111.4 94.4 68.0 9.8 18.7 49.7 42.0 71 75 A R S < S- 0 0 10 -3,-1.3 2,-0.6 -23,-0.1 -21,-0.2 -0.921 82.8-110.6-126.0 153.4 18.1 53.4 41.9 72 76 A I E -d 50 0A 9 -23,-3.1 -21,-2.4 -2,-0.3 2,-0.4 -0.806 37.5-147.9 -85.7 118.3 17.7 55.9 44.8 73 77 A N E -d 51 0A 4 -2,-0.6 16,-2.5 14,-0.4 2,-0.4 -0.852 18.7-179.8 -95.1 130.3 14.0 57.0 44.9 74 78 A V E -de 52 89A 0 -23,-2.2 -21,-2.3 -2,-0.4 2,-0.5 -1.000 9.4-161.4-128.5 122.1 12.9 60.5 46.0 75 79 A V E -de 53 90A 0 14,-2.5 16,-2.3 -2,-0.4 2,-0.7 -0.887 12.0-142.3-106.0 126.6 9.2 61.4 46.1 76 80 A I E +de 54 91A 24 -23,-2.7 -21,-0.8 -2,-0.5 2,-0.3 -0.836 35.1 153.1 -96.6 114.4 8.3 65.1 46.1 77 81 A T - 0 0 18 14,-3.0 3,-0.3 -2,-0.7 16,-0.1 -0.988 26.2-168.5-140.2 129.9 5.3 65.8 48.3 78 82 A R S S+ 0 0 162 -2,-0.3 2,-2.1 1,-0.3 -1,-0.1 0.913 92.3 43.5 -87.6 -59.7 4.6 69.2 50.1 79 83 A N S S- 0 0 152 13,-0.1 2,-1.9 2,-0.1 -1,-0.3 -0.630 90.6-165.1 -80.4 72.0 1.7 68.1 52.5 80 84 A E + 0 0 65 -2,-2.1 -1,-0.0 -3,-0.3 12,-0.0 -0.492 41.0 136.3 -67.3 86.8 3.7 65.0 53.3 81 85 A S + 0 0 119 -2,-1.9 2,-0.4 2,-0.0 -1,-0.2 -0.327 38.7 128.9-120.9 44.5 1.2 62.8 54.9 82 86 A L - 0 0 55 -5,-0.0 2,-1.4 0, 0.0 -5,-0.0 -0.890 61.4-137.0-104.0 134.4 2.5 59.9 52.8 83 87 A D + 0 0 165 -2,-0.4 2,-0.2 0, 0.0 -2,-0.0 -0.761 38.4 169.9 -87.5 86.5 3.4 56.6 54.4 84 88 A L - 0 0 39 -2,-1.4 3,-0.1 1,-0.1 2,-0.1 -0.558 27.3-116.5 -93.0 162.7 6.7 56.1 52.4 85 89 A G > - 0 0 50 -2,-0.2 3,-1.0 1,-0.2 2,-0.3 -0.148 36.8 -66.5 -91.7-171.1 9.0 53.2 53.5 86 90 A N T 3 S+ 0 0 171 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.605 121.2 19.8 -76.5 127.7 12.5 52.8 54.8 87 91 A G T 3 S+ 0 0 57 -2,-0.3 2,-0.5 1,-0.3 -14,-0.4 0.235 97.1 109.6 91.7 -12.9 15.0 53.9 52.2 88 92 A I < - 0 0 26 -3,-1.0 -1,-0.3 -16,-0.1 2,-0.2 -0.849 59.9-147.2 -94.1 128.2 12.6 56.0 50.2 89 93 A H E -e 74 0A 34 -16,-2.5 -14,-2.5 -2,-0.5 2,-0.3 -0.620 11.2-165.4 -93.8 157.2 13.3 59.7 50.5 90 94 A S E +e 75 0A 44 -2,-0.2 2,-0.3 -16,-0.2 -14,-0.2 -0.978 8.4 178.1-135.4 147.8 10.5 62.4 50.4 91 95 A A E -e 76 0A 5 -16,-2.3 -14,-3.0 -2,-0.3 3,-0.1 -0.965 33.5-127.2-147.8 162.9 11.0 66.2 49.9 92 96 A K S S- 0 0 93 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.642 87.7 -6.9 -84.4 -25.1 8.8 69.1 49.6 93 97 A S S > S- 0 0 16 -16,-0.1 4,-1.5 -15,-0.1 -16,-0.1 -0.885 81.7 -89.3-155.7 177.8 10.1 70.5 46.4 94 98 A L H > S+ 0 0 7 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.846 123.2 50.0 -70.9 -40.3 13.0 69.9 44.0 95 99 A D H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.855 110.1 51.3 -67.7 -33.7 15.5 72.2 45.7 96 100 A H H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.831 108.8 52.5 -68.2 -37.7 14.7 70.6 49.0 97 101 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.955 109.0 48.1 -63.0 -46.1 15.3 67.2 47.4 98 102 A L H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.849 110.4 54.0 -60.8 -39.0 18.7 68.2 46.0 99 103 A E H X S+ 0 0 114 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.976 109.7 45.4 -60.2 -54.7 19.6 69.6 49.5 100 104 A L H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.870 113.2 52.4 -57.5 -44.0 18.8 66.2 51.2 101 105 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.900 110.9 43.4 -59.6 -48.0 20.7 64.4 48.5 102 106 A Y H < S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.1 48.5 -70.6 -29.5 24.0 66.4 48.8 103 107 A R H < S+ 0 0 165 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.830 120.2 37.4 -74.9 -35.5 23.7 66.2 52.6 104 108 A T H < S+ 0 0 62 -4,-2.5 2,-0.4 -5,-0.2 -2,-0.2 0.849 119.5 42.6 -83.0 -41.8 23.0 62.5 52.6 105 109 A Y S < S+ 0 0 42 -4,-3.0 8,-0.4 -5,-0.2 -1,-0.2 -0.522 90.5 139.0-110.9 61.9 25.3 61.2 49.7 106 110 A G S > S- 0 0 24 -3,-0.4 3,-1.8 -2,-0.4 -3,-0.1 0.025 71.6 -64.1 -87.1-173.1 28.3 63.3 50.7 107 111 A S T 3 S+ 0 0 124 1,-0.3 -2,-0.0 5,-0.0 5,-0.0 0.767 131.8 48.6 -49.2 -39.1 32.0 62.8 50.9 108 112 A E T 3 S+ 0 0 193 3,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.436 86.6 104.0 -90.3 -4.4 31.7 60.2 53.6 109 113 A S < - 0 0 33 -3,-1.8 -4,-0.1 1,-0.1 -5,-0.0 -0.549 60.9-150.8 -81.0 141.3 29.0 58.1 52.0 110 114 A S S S+ 0 0 80 -2,-0.3 -64,-2.3 -65,-0.1 2,-0.6 0.783 89.5 72.3 -77.6 -18.2 30.0 54.8 50.5 111 115 A V E S- c 0 46A 35 -66,-0.2 2,-0.4 -64,-0.1 -64,-0.2 -0.836 72.7-171.1 -95.9 119.6 27.1 55.3 48.1 112 116 A Q E - c 0 47A 58 -66,-3.3 -64,-1.9 -2,-0.6 2,-0.3 -0.926 24.4-114.8-114.9 140.1 27.9 58.1 45.6 113 117 A I E - c 0 48A 21 -8,-0.4 -64,-0.2 -2,-0.4 3,-0.1 -0.544 27.9-177.6 -75.9 134.6 25.3 59.7 43.2 114 118 A N E - 0 0 35 -66,-2.8 2,-0.3 1,-0.4 -65,-0.2 0.855 64.5 -12.7 -90.5 -85.0 26.0 59.1 39.4 115 119 A R E - 0 0 49 -79,-0.1 -65,-2.1 -77,-0.1 2,-0.5 -0.866 61.1-136.8-119.1 160.9 23.2 61.0 37.5 116 120 A I E -ac 3 50A 1 -114,-0.6 -112,-2.3 -2,-0.3 2,-0.4 -0.984 19.3-167.7-120.0 123.8 20.0 62.5 38.7 117 121 A F E -ac 4 51A 0 -67,-2.9 -65,-3.4 -2,-0.5 2,-0.6 -0.905 16.2-149.3-117.2 137.7 16.8 62.1 36.7 118 122 A V E -ac 5 52A 0 -114,-2.2 -112,-2.3 -2,-0.4 -65,-0.2 -0.904 17.0-178.9 -99.6 120.7 13.4 63.9 37.0 119 123 A I - 0 0 1 -67,-3.1 -66,-0.1 -2,-0.6 -1,-0.1 0.137 34.8-167.6-109.6 16.2 10.7 61.4 35.9 120 124 A G - 0 0 0 -68,-0.3 -66,-1.9 1,-0.2 -1,-0.4 -0.292 51.6-140.1 98.7 178.8 7.6 63.5 36.3 121 125 A G >> - 0 0 24 -68,-0.3 4,-2.6 -64,-0.1 3,-1.0 0.489 56.4 -99.3 -78.9-169.0 4.8 64.3 36.5 122 126 A A H 3> S+ 0 0 24 1,-0.3 4,-2.5 2,-0.3 5,-0.2 0.808 122.8 55.0 -44.8 -43.0 4.0 67.5 34.7 123 127 A Q H 3> S+ 0 0 171 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.956 114.9 40.9 -65.1 -35.6 4.1 69.6 38.0 124 128 A L H <> S+ 0 0 13 -3,-1.0 4,-2.1 1,-0.2 -2,-0.3 0.799 112.8 53.9 -75.2 -34.8 7.6 68.3 38.6 125 129 A Y H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.868 107.7 52.6 -61.7 -38.8 8.6 68.6 34.9 126 130 A K H X S+ 0 0 100 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.960 110.0 47.1 -59.3 -52.9 7.5 72.3 35.1 127 131 A A H < S+ 0 0 38 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.889 113.1 49.0 -58.1 -39.0 9.7 72.9 38.2 128 132 A A H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 6,-0.4 0.910 103.9 57.8 -68.2 -44.3 12.7 71.2 36.5 129 133 A M H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 107.7 50.6 -56.2 -27.5 12.3 73.1 33.3 130 134 A D T 3< S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.206 90.3 107.5 -92.6 9.1 12.7 76.2 35.5 131 135 A H X - 0 0 18 -3,-2.5 3,-1.9 1,-0.1 -128,-0.1 -0.833 67.4-142.1 -99.9 134.0 15.9 74.9 37.2 132 136 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.649 102.4 56.1 -59.8 -19.6 19.3 76.3 36.4 133 137 A K T 3 S+ 0 0 101 -5,-0.1 -130,-2.0 -131,-0.1 2,-0.4 0.563 77.7 102.9 -94.2 -8.5 20.7 72.9 36.6 134 138 A L E < +b 3 0A 0 -3,-1.9 -130,-0.2 -6,-0.4 3,-0.1 -0.635 32.9 147.7 -70.8 117.9 18.4 71.2 34.0 135 139 A D E + 0 0 18 -132,-1.9 65,-2.1 -2,-0.4 2,-0.3 0.348 53.2 50.7-132.5 2.9 20.6 70.8 30.8 136 140 A R E -bF 4 199A 42 -133,-0.8 -131,-2.4 63,-0.2 2,-0.4 -1.000 51.5-164.9-149.7 143.7 19.3 67.5 29.1 137 141 A I E -bF 5 198A 0 61,-2.4 61,-2.5 -2,-0.3 2,-0.8 -0.989 7.4-159.5-130.4 120.3 16.1 66.0 28.1 138 142 A M E -bF 6 197A 2 -133,-3.0 -131,-2.3 -2,-0.4 2,-0.4 -0.906 29.2-177.5-101.2 101.5 15.8 62.3 27.2 139 143 A A E -bF 7 196A 1 57,-2.2 57,-3.1 -2,-0.8 2,-0.5 -0.946 28.1-160.1-116.7 136.5 12.6 62.2 25.1 140 144 A T E -bF 8 195A 2 -133,-2.0 -131,-2.5 -2,-0.4 2,-0.6 -0.982 21.0-150.3-110.7 112.5 10.7 59.4 23.5 141 145 A I E -bF 9 194A 0 53,-2.5 53,-1.8 -2,-0.5 2,-0.6 -0.869 3.6-154.3 -93.2 115.3 8.5 60.9 20.8 142 146 A I E -bF 10 193A 0 -133,-2.5 2,-1.3 -2,-0.6 -131,-1.2 -0.832 4.6-151.5 -94.1 120.2 5.3 59.0 20.1 143 147 A Y + 0 0 65 49,-3.2 49,-0.3 -2,-0.6 2,-0.3 -0.642 63.3 91.3 -94.7 66.6 4.0 59.5 16.6 144 148 A K S S- 0 0 87 -2,-1.3 2,-0.9 47,-0.1 -133,-0.5 -0.965 77.0-118.7-159.4 151.9 0.3 59.0 17.4 145 149 A D + 0 0 130 -2,-0.3 2,-0.4 -135,-0.1 -2,-0.1 -0.832 38.8 171.6-103.7 96.4 -2.6 61.1 18.4 146 150 A I - 0 0 26 -2,-0.9 2,-0.7 -132,-0.0 -132,-0.1 -0.810 44.5-106.7-100.5 141.9 -3.6 59.8 21.8 147 151 A H - 0 0 116 -2,-0.4 -129,-0.6 2,-0.0 2,-0.4 -0.707 50.3-177.8 -69.0 113.9 -6.3 61.9 23.6 148 152 A C E -I 17 0B 18 -2,-0.7 -131,-0.2 -131,-0.2 3,-0.1 -0.890 31.7-178.1-117.9 152.3 -4.2 63.6 26.4 149 153 A D E S+ 0 0 108 -133,-1.5 2,-0.5 -2,-0.4 -132,-0.1 0.392 75.4 66.4-115.1 -9.4 -5.4 65.9 29.1 150 154 A V E -I 16 0B 42 -134,-1.4 -135,-3.7 -28,-0.0 -134,-1.1 -0.969 66.8-170.3-124.9 126.5 -1.9 66.4 30.4 151 155 A F E -I 14 0B 100 -2,-0.5 -137,-0.2 -137,-0.3 -138,-0.1 -0.836 31.1-105.9-116.5 155.7 0.8 68.1 28.5 152 156 A F - 0 0 4 -139,-2.9 -30,-0.0 -2,-0.3 -145,-0.0 -0.526 39.6-126.5 -70.7 134.1 4.5 68.7 28.7 153 157 A P S S+ 0 0 55 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.416 83.6 38.4 -71.5 -9.0 5.0 72.3 29.8 154 158 A L S S- 0 0 37 -141,-0.1 2,-2.1 0, 0.0 3,-0.1 -0.988 72.7-131.6-145.7 133.3 7.4 73.8 27.2 155 159 A K > + 0 0 96 -2,-0.4 3,-1.6 1,-0.2 6,-0.2 -0.494 40.4 164.2 -79.7 66.2 7.4 73.1 23.4 156 160 A F T 3 + 0 0 0 -2,-2.1 -1,-0.2 1,-0.3 9,-0.2 0.527 67.3 56.5 -66.9 -13.7 11.1 72.4 23.4 157 161 A R T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 41,-0.0 2,-0.1 0.337 90.3 102.2 -95.2 -3.7 11.2 70.7 20.0 158 162 A D S X S- 0 0 58 -3,-1.6 3,-1.6 1,-0.1 4,-0.3 -0.292 86.0-110.6 -78.8 163.5 9.6 73.7 18.3 159 163 A K G > S+ 0 0 181 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.884 113.1 67.8 -57.6 -42.0 11.2 76.4 16.2 160 164 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.566 107.5 40.1 -52.7 -18.8 10.6 79.0 18.9 161 165 A W G X> S+ 0 0 67 -3,-1.6 4,-2.3 -6,-0.2 3,-2.0 0.404 80.5 108.0-121.6 6.4 13.2 77.1 21.1 162 166 A S T <4 S+ 0 0 61 -3,-1.9 -2,-0.1 -4,-0.3 -1,-0.1 0.669 76.5 52.3 -59.2 -28.9 15.9 76.1 18.6 163 167 A S T 34 S+ 0 0 104 -4,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.458 120.1 36.6 -86.4 -3.4 18.6 78.5 19.7 164 168 A V T <4 S+ 0 0 62 -3,-2.0 2,-0.6 1,-0.3 37,-0.5 0.757 118.6 41.2-108.6 -55.8 18.2 77.3 23.3 165 169 A W E < S-G 200 0A 5 -4,-2.3 2,-0.4 -9,-0.2 -1,-0.3 -0.867 71.6-166.9-101.5 116.6 17.5 73.5 23.1 166 170 A K E -G 199 0A 91 33,-2.3 33,-2.5 -2,-0.6 2,-0.6 -0.861 19.9-129.9-107.7 133.0 19.5 71.5 20.6 167 171 A K E -G 198 0A 76 -2,-0.4 31,-0.3 31,-0.2 3,-0.1 -0.754 31.3-138.5 -84.3 118.4 18.8 68.0 19.4 168 172 A E - 0 0 57 29,-2.8 29,-0.3 -2,-0.6 2,-0.1 -0.313 24.2 -90.1 -76.3 160.8 22.0 66.0 19.7 169 173 A K >> - 0 0 139 1,-0.1 4,-2.1 27,-0.1 3,-1.2 -0.365 35.6-113.9 -66.9 152.9 23.3 63.5 17.1 170 174 A H H 3> S+ 0 0 38 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.887 116.6 57.4 -57.2 -40.1 22.2 59.9 17.5 171 175 A S H 3> S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.770 104.1 51.1 -62.9 -29.9 25.8 58.9 18.2 172 176 A D H <> S+ 0 0 62 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.857 109.0 52.3 -75.1 -40.8 26.0 61.4 21.1 173 177 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.944 111.0 46.8 -55.1 -46.3 22.8 59.9 22.5 174 178 A E H X>S+ 0 0 24 -4,-2.6 5,-1.3 1,-0.2 4,-0.9 0.880 112.2 51.1 -64.9 -35.5 24.3 56.4 22.3 175 179 A S H <5S+ 0 0 88 -4,-1.4 3,-0.3 -5,-0.3 -1,-0.2 0.951 110.5 47.3 -72.0 -37.9 27.5 57.6 23.9 176 180 A W H <5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.3 42.3 -66.6 -43.6 25.7 59.2 26.9 177 181 A V H <5S- 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.580 108.7-126.2 -79.6 -12.7 23.4 56.1 27.5 178 182 A G T <5S+ 0 0 48 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.733 76.5 79.4 72.0 24.5 26.4 53.7 27.0 179 183 A T S S-H 191 0A 21 3,-2.9 3,-1.5 -2,-0.5 -164,-0.1 -0.941 71.4 -24.8-139.5 113.5 5.7 48.6 19.0 189 193 A D T 3 S- 0 0 114 -2,-0.4 -165,-0.1 1,-0.3 3,-0.1 0.841 128.5 -42.8 50.7 48.1 2.1 47.5 19.2 190 194 A G T 3 S+ 0 0 39 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.519 116.9 118.4 79.5 4.4 0.8 49.9 16.6 191 195 A F E < - H 0 188A 27 -3,-1.5 -3,-2.9 -47,-0.0 2,-0.5 -0.914 49.8-157.8-111.8 134.2 2.9 52.7 18.1 192 196 A D E + H 0 187A 55 -2,-0.5 -49,-3.2 -49,-0.3 2,-0.3 -0.949 25.2 161.0-104.8 132.3 5.6 54.5 16.3 193 197 A Y E -FH 142 186A 2 -7,-2.0 -7,-2.8 -2,-0.5 2,-0.4 -0.953 22.0-158.4-147.5 156.4 8.1 56.2 18.6 194 198 A E E -F 141 0A 53 -53,-1.8 -53,-2.5 -2,-0.3 2,-0.4 -0.996 18.5-127.1-136.4 140.2 11.6 57.6 18.3 195 199 A F E +F 140 0A 14 -11,-0.4 2,-0.3 -2,-0.4 -55,-0.2 -0.703 32.3 175.0 -86.7 134.2 14.3 58.2 21.0 196 200 A E E -F 139 0A 13 -57,-3.1 -57,-2.2 -2,-0.4 2,-0.4 -0.933 22.8-152.3-134.1 159.7 15.9 61.7 21.2 197 201 A M E -F 138 0A 2 -29,-0.3 -29,-2.8 -2,-0.3 2,-0.4 -1.000 16.2-176.3-129.5 118.5 18.4 63.6 23.4 198 202 A W E -FG 137 167A 24 -61,-2.5 -61,-2.4 -2,-0.4 2,-0.3 -0.961 4.9-168.1-113.5 138.0 18.1 67.5 23.6 199 203 A T E -FG 136 166A 20 -33,-2.5 -33,-2.3 -2,-0.4 2,-0.4 -0.841 8.9-154.5-127.0 163.9 20.6 69.7 25.6 200 204 A R E - G 0 165A 44 -65,-2.1 2,-0.3 -2,-0.3 -35,-0.1 -0.964 26.7-112.6-135.7 143.5 20.7 73.3 26.8 201 205 A D 0 0 131 -37,-0.5 0, 0.0 -2,-0.4 0, 0.0 -0.574 360.0 360.0 -78.2 139.8 23.8 75.4 27.5 202 206 A L 0 0 154 -2,-0.3 -1,-0.2 -69,-0.1 -68,-0.0 0.723 360.0 360.0-116.2 360.0 24.2 76.4 31.1 203 ! 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 0.0 204 207 A X 0 0 84 0, 0.0 -175,-0.1 0, 0.0 -139,-0.0 0.000 360.0 360.0 360.0 360.0 10.3 49.9 35.9