==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-11 2Y8A . COMPND 2 MOLECULE: METALLO-B-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR P.SARADHI,H.-K.S.LEIROS,R.AHMAD,J.SPENCER,I.LEIROS,T.R.WALSH . 226 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 2 1 0 0 0 1 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 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 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 30 A E 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.3 19.8 27.5 8.5 2 31 A Y - 0 0 29 1,-0.1 14,-0.1 210,-0.1 209,-0.0 -0.561 360.0-114.6 -72.9 125.5 21.6 24.7 6.5 3 32 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 207,-0.1 -0.277 36.3-175.4 -59.7 139.0 25.0 23.9 8.1 4 33 A T > - 0 0 52 22,-0.1 3,-2.0 207,-0.0 4,-0.3 -0.740 46.3 -85.3-124.5 175.8 28.2 24.5 6.0 5 34 A V G > S+ 0 0 50 1,-0.3 3,-0.6 -2,-0.2 31,-0.0 0.737 121.4 66.6 -49.6 -26.8 31.9 23.9 6.5 6 35 A D G 3 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.658 104.7 38.9 -76.9 -15.2 32.1 27.2 8.4 7 36 A D G < S+ 0 0 78 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.203 103.0 69.3-122.8 19.7 30.0 26.1 11.4 8 37 A I < - 0 0 8 -3,-0.6 -1,-0.1 -4,-0.3 3,-0.1 -0.913 68.2-142.8-139.6 109.8 31.0 22.5 12.1 9 38 A P > - 0 0 76 0, 0.0 3,-1.8 0, 0.0 2,-0.3 -0.303 41.8 -89.3 -61.7 152.8 34.5 21.5 13.5 10 39 A V T 3 S+ 0 0 48 1,-0.2 19,-0.1 17,-0.1 3,-0.1 -0.532 119.1 37.1 -64.3 125.2 36.0 18.2 12.1 11 40 A G T 3 S+ 0 0 14 1,-0.5 2,-0.3 17,-0.5 -1,-0.2 0.372 98.2 95.9 107.0 -1.9 34.7 15.5 14.4 12 41 A E < - 0 0 99 -3,-1.8 16,-0.5 16,-0.1 -1,-0.5 -0.858 55.3-156.0-113.2 156.7 31.2 16.9 14.9 13 42 A V E -A 27 0A 7 -2,-0.3 2,-0.3 50,-0.2 14,-0.2 -0.969 2.6-160.7-129.9 146.6 28.0 16.0 13.1 14 43 A R E -A 26 0A 99 12,-2.4 12,-2.9 -2,-0.3 2,-0.3 -0.962 7.9-145.6-125.4 146.8 24.8 17.9 12.6 15 44 A L E -A 25 0A 17 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.844 9.1-163.4-106.6 147.6 21.3 16.7 11.6 16 45 A Y E -A 24 0A 67 8,-2.7 8,-3.5 -2,-0.3 2,-0.3 -0.949 19.4-129.0-140.1 121.4 18.9 18.7 9.4 17 47 A K E +A 23 0A 112 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.439 30.4 169.6 -69.1 123.0 14.9 18.0 9.2 18 48 A I E - 0 0 36 4,-2.4 2,-0.2 1,-0.3 5,-0.2 0.783 62.5 -41.1 -96.1 -41.3 14.0 17.7 5.5 19 49 A G E > S-A 22 0A 21 3,-1.7 3,-1.5 143,-0.0 2,-0.4 -0.871 94.8 -28.3-163.3-163.4 10.5 16.4 5.9 20 50 A D T 3 S- 0 0 137 1,-0.3 140,-0.1 -2,-0.2 3,-0.1 -0.531 130.3 -8.0 -69.2 119.8 8.4 14.0 7.9 21 51 A G T 3 S+ 0 0 10 -2,-0.4 23,-3.0 1,-0.1 2,-0.4 0.616 115.4 105.7 70.0 16.3 10.7 11.1 9.1 22 52 A V E < +AB 19 43A 1 -3,-1.5 -4,-2.4 21,-0.2 -3,-1.7 -0.994 38.2 164.4-133.8 124.5 13.6 12.4 6.9 23 53 A W E -AB 17 42A 30 19,-2.1 19,-2.5 -2,-0.4 2,-0.3 -0.950 27.4-136.5-127.5 154.3 16.8 14.2 8.0 24 54 A S E -AB 16 41A 0 -8,-3.5 -8,-2.7 -2,-0.3 2,-0.4 -0.812 17.3-144.8 -97.3 151.2 20.1 14.9 6.3 25 55 A H E -AB 15 40A 1 15,-1.0 15,-2.3 -2,-0.3 2,-0.4 -0.956 14.4-164.0-112.2 140.7 23.3 14.4 8.3 26 56 A I E +AB 14 39A 0 -12,-2.9 -12,-2.4 -2,-0.4 2,-0.2 -0.989 14.8 161.4-128.5 129.3 26.2 16.8 7.7 27 57 A A E -AB 13 38A 0 11,-1.9 11,-2.0 -2,-0.4 2,-0.3 -0.798 24.2-129.4-135.0 178.5 29.9 16.3 8.7 28 58 A T E + B 0 37A 0 -16,-0.5 -17,-0.5 -19,-0.2 2,-0.3 -0.943 17.5 179.1-135.1 157.6 33.3 17.7 7.8 29 59 A Q E - B 0 36A 48 7,-2.1 7,-3.2 -2,-0.3 2,-0.5 -0.972 20.1-136.7-159.5 139.4 36.7 16.3 6.8 30 60 A K E - B 0 35A 124 -2,-0.3 2,-0.6 5,-0.3 5,-0.2 -0.892 10.7-170.2-101.6 122.1 40.1 17.8 5.9 31 61 A L E > S- B 0 34A 99 3,-1.8 3,-1.5 -2,-0.5 2,-0.6 -0.958 72.1 -47.9-106.7 111.5 42.1 16.3 3.0 32 62 A G T 3 S- 0 0 86 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.548 125.4 -20.5 65.3-112.8 45.6 17.9 3.2 33 63 A D T 3 S+ 0 0 160 -2,-0.6 -1,-0.3 -3,-0.0 2,-0.1 0.690 119.6 92.9 -95.5 -26.0 44.9 21.6 3.6 34 64 A T E < -B 31 0A 71 -3,-1.5 -3,-1.8 -4,-0.0 2,-0.4 -0.456 58.9-156.7 -78.8 132.5 41.3 21.6 2.2 35 66 A V E -B 30 0A 58 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.3 -0.993 18.0-175.1-101.0 128.5 38.2 21.2 4.7 36 67 A Y E -B 29 0A 93 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.3 -0.829 19.4-136.9-115.6 159.4 35.0 19.8 3.0 37 68 A S E -B 28 0A 18 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 20.7-163.5-104.8 158.7 31.4 19.2 4.2 38 69 A S E -B 27 0A 3 -11,-2.0 -11,-1.9 -2,-0.3 2,-0.4 -0.997 5.9-144.6-148.7 139.6 29.4 16.0 3.3 39 70 A N E +B 26 0A 0 169,-3.2 -13,-0.2 -2,-0.3 2,-0.2 -0.846 20.7 161.7-108.5 138.8 25.8 15.0 3.3 40 71 A G E -B 25 0A 0 -15,-2.3 -15,-1.0 -2,-0.4 2,-0.3 -0.627 28.8-117.2-127.4-162.0 24.0 11.7 4.1 41 72 A L E -BC 24 52A 0 11,-1.9 11,-3.2 -17,-0.3 2,-0.4 -0.965 10.1-158.1-143.4 153.6 20.4 10.8 4.9 42 73 A I E -BC 23 51A 1 -19,-2.5 -19,-2.1 -2,-0.3 2,-0.5 -0.999 14.0-170.1-132.6 127.9 18.3 9.3 7.8 43 74 A V E -BC 22 50A 2 7,-2.3 7,-2.6 -2,-0.4 2,-0.2 -0.982 17.0-134.5-128.7 123.6 14.9 7.8 7.1 44 75 A R E - C 0 49A 121 -23,-3.0 2,-0.3 -2,-0.5 5,-0.2 -0.540 21.1-179.7 -72.7 135.2 12.4 6.7 9.8 45 76 A D E > - C 0 48A 52 3,-3.2 3,-1.4 -2,-0.2 2,-0.3 -0.870 62.7 -57.6-136.4 105.2 10.7 3.3 9.3 46 77 A A T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.482 121.1 -19.7 58.5-121.0 8.2 2.4 12.1 47 78 A D T 3 S+ 0 0 116 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.112 129.1 68.5-108.3 35.4 10.3 2.6 15.3 48 79 A E E < S-C 45 0A 63 -3,-1.4 -3,-3.2 26,-0.1 2,-0.4 -0.915 70.1-126.4-143.4 171.7 13.7 2.2 13.5 49 80 A L E -Cd 44 76A 2 26,-1.9 28,-2.1 -2,-0.3 29,-1.0 -0.969 4.1-150.5-127.4 137.4 16.0 4.2 11.3 50 81 A L E -Cd 43 78A 3 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.4 -0.921 21.0-146.5-101.8 126.8 17.7 3.4 8.0 51 82 A L E -Cd 42 79A 1 27,-2.5 29,-2.3 -2,-0.5 2,-0.6 -0.796 4.1-155.1 -97.7 132.3 21.0 5.3 7.5 52 83 A I E -Cd 41 80A 0 -11,-3.2 -11,-1.9 -2,-0.4 29,-0.2 -0.965 64.6 -21.1-105.0 115.6 22.1 6.4 4.1 53 84 A D S S- 0 0 1 27,-3.5 -1,-0.2 -2,-0.6 -12,-0.2 0.551 76.1 -92.2 67.1 148.4 26.0 6.7 4.0 54 85 A T - 0 0 1 34,-1.5 37,-0.1 -3,-0.1 36,-0.1 -0.169 37.7-106.2 -74.7 178.6 28.5 7.2 6.8 55 86 A A - 0 0 2 2,-0.3 -27,-0.1 35,-0.2 33,-0.1 -0.018 67.2 -86.3-101.7 30.1 29.8 10.6 8.0 56 87 A W S S+ 0 0 27 34,-0.4 4,-0.2 30,-0.2 31,-0.2 0.997 96.6 7.7 70.1 64.4 33.1 10.2 6.3 57 88 A G S > S- 0 0 18 33,-3.3 4,-2.5 29,-0.5 -2,-0.3 -0.187 85.7 -82.4 116.8 161.8 35.3 8.3 8.9 58 89 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.897 121.9 49.0 -67.8 -43.1 35.1 6.5 12.2 59 90 A K H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 115.4 45.2 -63.8 -43.6 35.3 9.5 14.5 60 91 A N H > S+ 0 0 3 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 111.3 52.7 -66.1 -39.0 32.6 11.3 12.5 61 92 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.835 106.4 52.6 -69.7 -33.6 30.4 8.2 12.4 62 93 A V H X S+ 0 0 84 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.923 112.3 46.1 -62.5 -44.0 30.6 7.7 16.2 63 94 A A H X S+ 0 0 24 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.842 108.2 57.2 -68.0 -35.0 29.5 11.3 16.7 64 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.915 107.8 47.2 -56.9 -47.6 26.7 10.7 14.1 65 96 A L H X S+ 0 0 35 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.910 112.3 49.8 -64.4 -41.3 25.3 7.8 16.1 66 97 A A H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.892 112.5 47.2 -62.8 -42.1 25.5 10.0 19.3 67 98 A E H X S+ 0 0 41 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.918 112.0 50.2 -66.7 -43.5 23.7 12.9 17.6 68 99 A I H X>S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 5,-1.7 0.928 110.3 49.2 -55.5 -47.7 21.0 10.5 16.2 69 100 A E H <5S+ 0 0 118 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.946 116.2 43.9 -67.9 -34.3 20.4 9.0 19.7 70 102 A K H <5S+ 0 0 169 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 125.1 31.9 -55.2 -57.5 20.1 12.8 21.3 71 103 A Q H <5S+ 0 0 105 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.860 137.1 16.4 -86.7 -37.5 17.9 14.3 18.6 72 104 A I T <5S- 0 0 33 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.813 75.7-152.0-108.6 -44.1 15.8 11.3 17.4 73 105 A G < + 0 0 39 -5,-1.7 -4,-0.2 1,-0.3 -3,-0.1 0.738 55.0 113.7 74.7 24.5 16.0 8.5 20.0 74 106 A L S S- 0 0 26 -6,-0.4 -1,-0.3 -26,-0.0 2,-0.2 -0.948 70.1-105.6-122.9 149.4 15.5 5.6 17.7 75 107 A P - 0 0 76 0, 0.0 -26,-1.9 0, 0.0 2,-0.6 -0.438 21.0-128.8 -69.2 138.4 18.1 2.9 16.8 76 109 A V E +d 49 0A 18 -2,-0.2 -26,-0.2 -28,-0.2 3,-0.1 -0.766 36.5 169.6 -68.2 111.4 19.9 2.8 13.2 77 110 A T E + 0 0 40 -28,-2.1 24,-2.1 -2,-0.6 2,-0.3 0.709 58.3 19.3-104.3 -30.0 19.3 -0.9 12.3 78 111 A R E -de 50 101A 56 -29,-1.0 -27,-2.5 22,-0.2 2,-0.3 -0.955 63.3-163.7-136.9 157.6 20.4 -0.9 8.7 79 112 A S E -de 51 102A 1 22,-2.2 24,-2.0 -2,-0.3 2,-0.4 -0.958 5.6-156.9-137.0 154.7 22.6 1.3 6.5 80 113 A I E -de 52 103A 0 -29,-2.3 -27,-3.5 -2,-0.3 2,-0.5 -0.999 9.1-150.9-130.4 133.8 23.1 1.8 2.7 81 114 A S - 0 0 1 22,-1.8 24,-0.4 -2,-0.4 8,-0.1 -0.917 4.9-152.9-106.1 130.2 26.3 3.2 1.2 82 115 A T S S- 0 0 1 -2,-0.5 71,-2.3 22,-0.1 2,-0.3 0.441 71.6 -10.8 -92.4 -2.9 25.8 5.0 -2.1 83 116 A H S S- 0 0 0 69,-0.2 -1,-0.1 2,-0.2 5,-0.1 -0.938 75.2 -92.0-174.1-175.6 29.3 4.4 -3.5 84 117 A F S S+ 0 0 13 -2,-0.3 5,-0.1 4,-0.1 34,-0.1 0.583 78.9 108.8 -86.3 -12.9 32.8 3.2 -2.6 85 118 A H S >> S- 0 0 24 1,-0.1 3,-2.1 3,-0.1 4,-2.1 -0.168 82.3-104.1 -67.4 161.1 34.6 6.4 -1.5 86 119 A D H 3> S+ 0 0 77 1,-0.3 4,-1.3 2,-0.2 -29,-0.5 0.733 116.6 65.0 -59.1 -28.7 35.4 7.2 2.1 87 120 A D H 34 S+ 0 0 11 -31,-0.2 -1,-0.3 1,-0.2 -31,-0.2 0.497 115.8 30.8 -74.9 1.3 32.6 9.7 2.6 88 121 A R H <4 S+ 0 0 0 -3,-2.1 -34,-1.5 -35,-0.2 -2,-0.2 0.663 135.9 21.5-124.5 -42.5 30.1 6.8 2.0 89 122 A V H >< S+ 0 0 0 -4,-2.1 3,-2.0 -36,-0.1 2,-0.7 0.539 91.3 110.2-104.5 -12.5 31.8 3.6 3.4 90 123 A G T 3< S+ 0 0 2 -4,-1.3 -33,-3.3 -5,-0.5 -34,-0.4 -0.545 86.8 25.6 -70.5 109.3 34.4 5.3 5.7 91 124 A G T 3> S+ 0 0 0 -2,-0.7 4,-1.5 -35,-0.2 -1,-0.3 0.450 79.2 125.1 109.3 7.7 33.1 4.4 9.2 92 125 A V H <> S+ 0 0 0 -3,-2.0 4,-2.5 2,-0.2 5,-0.2 0.839 73.9 57.6 -64.5 -35.0 31.2 1.2 8.2 93 126 A D H > S+ 0 0 80 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.883 103.4 53.3 -65.2 -34.4 33.2 -0.7 10.9 94 127 A V H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 109.3 49.3 -61.1 -41.3 31.8 1.8 13.4 95 128 A L H <>S+ 0 0 0 -4,-1.5 5,-2.8 2,-0.2 4,-0.3 0.907 111.5 48.0 -63.8 -42.1 28.3 0.9 12.1 96 129 A R H ><5S+ 0 0 133 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.884 108.6 54.5 -65.9 -40.4 29.1 -2.8 12.5 97 130 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.888 107.1 51.0 -56.0 -42.4 30.4 -2.2 16.0 98 131 A A T 3<5S- 0 0 61 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.523 125.8-103.5 -79.1 2.6 27.1 -0.6 16.9 99 133 A G T < 5 + 0 0 64 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.695 67.9 154.1 85.2 16.4 25.1 -3.7 15.4 100 134 A V < - 0 0 11 -5,-2.8 2,-0.8 -6,-0.1 -1,-0.3 -0.630 46.2-130.1 -83.7 136.6 24.0 -2.0 12.2 101 135 A A E -e 78 0A 26 -24,-2.1 -22,-2.2 -2,-0.3 2,-0.4 -0.786 30.1-152.9 -85.6 107.3 23.3 -4.2 9.1 102 136 A T E +e 79 0A 1 -2,-0.8 20,-2.7 -24,-0.2 2,-0.3 -0.724 17.9 176.8 -97.5 130.1 25.4 -2.6 6.4 103 137 A Y E +ef 80 122A 54 -24,-2.0 -22,-1.8 -2,-0.4 2,-0.3 -0.842 11.6 147.2-126.1 155.6 24.4 -2.9 2.7 104 138 A T E - f 0 123A 0 18,-1.4 20,-3.0 -2,-0.3 -22,-0.1 -0.936 53.4 -67.3-164.9-176.4 25.6 -1.6 -0.7 105 139 A S > - 0 0 4 -24,-0.4 4,-1.5 -2,-0.3 20,-0.1 -0.417 45.8-115.0 -74.1 158.4 25.6 -2.8 -4.3 106 140 A P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.892 117.8 53.2 -58.8 -41.9 27.9 -5.8 -5.2 107 141 A L H > S+ 0 0 64 20,-0.4 4,-3.0 1,-0.2 5,-0.3 0.913 104.7 54.3 -60.2 -44.3 30.0 -3.5 -7.4 108 142 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 108.0 50.3 -58.2 -37.3 30.5 -1.0 -4.5 109 143 A R H X S+ 0 0 78 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.908 112.8 46.2 -67.5 -42.8 31.8 -3.8 -2.3 110 144 A Q H X S+ 0 0 119 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 115.4 45.2 -63.3 -49.8 34.3 -4.9 -5.0 111 145 A L H X S+ 0 0 53 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.897 112.5 51.3 -62.4 -43.1 35.5 -1.3 -5.8 112 146 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 -5,-0.3 4,-0.2 0.882 110.3 49.5 -60.5 -41.1 35.8 -0.5 -2.0 113 147 A E H ><5S+ 0 0 144 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.975 109.6 51.4 -62.3 -51.2 37.9 -3.6 -1.5 114 148 A A H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.4 51.0 -54.5 -31.3 40.1 -2.7 -4.5 115 149 A A T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.406 113.8-115.7 -89.8 2.6 40.6 0.8 -2.9 116 150 A G T < 5S+ 0 0 70 -3,-2.2 2,-0.2 -4,-0.2 -3,-0.2 0.917 72.8 138.1 77.5 4.7 41.6 -0.6 0.5 117 165 A N < - 0 0 33 -5,-3.0 -1,-0.2 -6,-0.1 -32,-0.1 -0.712 64.0 -79.8 -82.1 170.4 38.3 1.1 2.0 118 166 A E - 0 0 49 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.1 -0.357 46.8-140.7 -68.1 151.4 35.8 -0.3 4.4 119 167 A V - 0 0 36 -7,-0.1 -17,-0.1 -3,-0.0 -10,-0.1 -0.970 9.7-124.3-124.1 116.2 33.3 -2.7 2.9 120 168 A P - 0 0 0 0, 0.0 -17,-0.2 0, 0.0 -16,-0.1 -0.286 25.2-129.9 -51.8 148.0 29.6 -3.0 3.8 121 169 A A S S+ 0 0 34 -19,-0.2 2,-0.3 -29,-0.1 -18,-0.2 0.773 80.1 49.0 -79.5 -30.1 28.8 -6.5 4.8 122 170 A H E S-f 103 0A 85 -20,-2.7 -18,-1.4 -17,-0.0 2,-0.4 -0.864 72.0-131.9-122.3 146.0 25.7 -7.3 2.7 123 171 A S E -f 104 0A 36 -2,-0.3 2,-1.2 -20,-0.2 -18,-0.2 -0.805 9.0-140.4 -97.4 133.9 24.9 -6.9 -1.0 124 172 A L > - 0 0 12 -20,-3.0 3,-0.8 -2,-0.4 2,-0.1 -0.799 32.9-161.5 -80.3 92.7 21.8 -5.4 -2.5 125 173 A K T 3 + 0 0 171 -2,-1.2 3,-0.1 1,-0.2 -20,-0.0 -0.408 69.8 50.9 -74.0 157.9 21.5 -7.9 -5.3 126 174 A A T 3 S+ 0 0 67 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.513 85.1 98.3 82.5 5.4 19.3 -6.9 -8.2 127 175 A L < + 0 0 4 -3,-0.8 -20,-0.4 1,-0.1 -3,-0.1 -0.748 47.6 106.9-115.8 80.0 21.2 -3.6 -8.5 128 176 A S + 0 0 89 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.618 66.1 48.3-125.9 -26.5 23.6 -4.6 -11.3 129 177 A S S > S- 0 0 65 -3,-0.2 3,-2.4 1,-0.0 -1,-0.3 -0.944 93.3 -86.9-124.3 144.2 22.6 -2.8 -14.5 130 178 A S T 3 S+ 0 0 55 -2,-0.4 3,-0.1 1,-0.3 15,-0.1 -0.152 116.6 29.5 -40.4 132.9 21.7 0.8 -15.3 131 179 A G T 3 S+ 0 0 35 12,-2.0 -1,-0.3 1,-0.3 2,-0.1 0.213 85.0 138.6 94.7 -13.4 18.0 1.3 -14.6 132 180 A D E < -G 143 0B 48 -3,-2.4 11,-2.2 11,-0.5 2,-0.3 -0.384 28.4-176.1 -67.0 141.6 17.7 -1.3 -11.8 133 181 A V E -G 142 0B 43 9,-0.2 2,-0.3 -7,-0.1 9,-0.2 -0.996 9.5-177.8-138.4 142.6 15.6 -0.4 -8.8 134 182 A V E -G 141 0B 30 7,-2.1 7,-2.7 -2,-0.3 2,-0.3 -0.982 25.4-124.4-134.5 152.0 14.8 -2.1 -5.5 135 183 A R E -G 140 0B 161 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.702 25.3-177.1 -88.1 144.1 12.6 -1.2 -2.6 136 184 A F E > -G 139 0B 20 3,-2.9 3,-2.2 1,-0.3 -2,-0.0 -0.782 54.6 -67.4-147.1 99.5 14.3 -1.1 0.8 137 185 A G T 3 S- 0 0 31 -2,-0.3 -1,-0.3 1,-0.3 -92,-0.1 -0.331 120.6 -5.7 50.2-124.6 12.1 -0.3 3.8 138 186 A P T 3 S+ 0 0 20 0, 0.0 21,-0.4 0, 0.0 -1,-0.3 0.424 128.7 58.0 -80.2 1.8 10.9 3.3 3.4 139 187 A V E < S-G 136 0B 0 -3,-2.2 -3,-2.9 18,-0.2 2,-0.4 -0.760 70.1-126.3-126.1 168.4 13.0 4.1 0.3 140 188 A E E -GH 135 156B 35 16,-2.6 16,-1.8 -2,-0.2 2,-0.5 -0.941 19.4-152.2-105.1 140.0 13.8 3.1 -3.3 141 189 A V E -GH 134 155B 0 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.4 -0.981 18.4-171.8-111.9 120.5 17.4 2.5 -4.1 142 190 A F E -GH 133 154B 7 12,-2.7 12,-2.8 -2,-0.5 -9,-0.2 -0.951 19.9-157.8-120.2 128.9 18.1 3.3 -7.8 143 191 A Y E +G 132 0B 29 -11,-2.2 -12,-2.0 -2,-0.4 -11,-0.5 -0.908 18.0 173.9-102.4 102.5 21.3 2.5 -9.8 144 192 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 50,-0.2 0.573 48.2 -88.5 -88.2 -13.0 21.1 5.0 -12.7 145 193 A G - 0 0 0 7,-0.5 4,-0.2 -15,-0.1 2,-0.1 -0.663 61.2 -35.4 128.0 175.2 24.5 4.4 -14.3 146 194 A A + 0 0 12 -2,-0.2 45,-0.3 1,-0.1 4,-0.2 -0.362 69.9 121.7 -70.5 148.2 28.1 5.6 -14.1 147 195 A A S S+ 0 0 0 2,-1.7 37,-2.6 35,-0.2 41,-0.2 -0.300 82.2 12.5-164.2-104.9 28.7 9.2 -13.4 148 196 A H S S- 0 0 17 35,-0.2 34,-0.4 1,-0.1 2,-0.3 0.871 144.6 -4.5 -54.9 -40.6 30.8 10.4 -10.4 149 197 A S S > S- 0 0 0 -4,-0.2 -2,-1.7 34,-0.1 3,-0.7 -0.937 78.4-105.8-144.2 170.2 31.8 6.8 -10.1 150 198 A G T 3 S+ 0 0 27 32,-0.4 -42,-0.1 -2,-0.3 -5,-0.1 0.728 116.6 39.8 -67.0 -21.8 30.9 3.5 -11.8 151 199 A D T 3 S+ 0 0 1 -44,-0.1 -1,-0.2 -43,-0.1 -43,-0.2 0.352 78.6 142.1-112.3 0.6 28.8 2.3 -8.9 152 200 A N < - 0 0 3 -3,-0.7 -7,-0.5 -9,-0.1 2,-0.3 -0.175 27.6-167.9 -63.9 135.2 26.9 5.4 -7.6 153 201 A L - 0 0 2 -71,-2.3 2,-0.3 -10,-0.2 -10,-0.2 -0.839 10.1-146.2-115.5 154.8 23.3 5.0 -6.4 154 202 A V E -H 142 0B 1 -12,-2.8 -12,-2.7 -2,-0.3 2,-0.4 -0.893 10.2-146.3-116.9 155.4 20.6 7.5 -5.6 155 203 A V E -HI 141 164B 0 9,-2.3 9,-3.2 -2,-0.3 2,-0.4 -0.986 10.2-168.9-127.4 124.4 17.9 7.1 -2.9 156 204 A Y E -HI 140 163B 21 -16,-1.8 -16,-2.6 -2,-0.4 7,-0.2 -0.928 12.8-153.7-112.4 132.4 14.3 8.4 -3.2 157 205 A V E >> - I 0 162B 4 5,-2.8 5,-1.5 -2,-0.4 4,-1.4 -0.902 11.8-167.3-102.8 105.4 11.9 8.5 -0.2 158 209 A P T 45S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.850 77.2 66.6 -71.2 -35.0 8.4 8.3 -1.9 159 210 A A T 45S+ 0 0 86 -21,-0.4 -20,-0.1 1,-0.2 -139,-0.0 0.912 122.6 16.6 -45.6 -51.0 6.3 9.3 1.1 160 211 A V T 45S- 0 0 36 -3,-0.5 43,-0.2 -140,-0.1 -1,-0.2 0.407 103.3-116.3-118.4 19.0 7.7 12.8 1.1 161 215 A R T <5 + 0 0 92 -4,-1.4 42,-2.2 1,-0.2 43,-1.5 0.953 58.1 154.2 55.1 42.8 9.4 13.2 -2.5 162 216 A V E < -Ij 157 204B 3 -5,-1.5 -5,-2.8 40,-0.2 2,-0.6 -0.927 26.2-164.4-107.6 124.6 13.0 13.5 -1.2 163 217 A L E -Ij 156 205B 0 41,-3.0 43,-2.9 -2,-0.5 2,-0.9 -0.943 8.3-160.3-112.3 113.0 15.8 12.5 -3.5 164 218 A F E -Ij 155 206B 0 -9,-3.2 -9,-2.3 -2,-0.6 41,-0.1 -0.845 12.6-179.8 -84.5 105.0 19.3 12.0 -2.1 165 219 A G E > - 0 0 1 41,-2.6 3,-0.9 -2,-0.9 -1,-0.2 0.655 17.7-164.0 -81.6 -18.4 21.4 12.3 -5.2 166 220 A G E > - j 0 207B 0 40,-0.9 42,-2.0 1,-0.2 3,-1.6 -0.223 57.2 -27.1 61.0-154.5 24.7 11.7 -3.5 167 221 A C T 3 S+ 0 0 7 1,-0.3 -1,-0.2 40,-0.2 -2,-0.0 0.563 126.1 74.9 -78.5 -7.1 28.0 12.6 -5.2 168 222 A A T < S+ 0 0 2 -3,-0.9 2,-0.4 -15,-0.2 -1,-0.3 0.550 94.4 63.5 -72.9 -9.2 26.5 12.1 -8.8 169 223 A V S < S- 0 0 3 -3,-1.6 39,-0.9 -4,-0.1 40,-0.5 -0.976 76.6-147.2-119.2 132.4 24.7 15.5 -8.2 170 224 A H - 0 0 13 47,-0.4 51,-0.2 -2,-0.4 50,-0.1 -0.702 21.5-113.4 -94.6 148.9 26.5 18.9 -7.7 171 225 A E > - 0 0 34 38,-0.5 3,-0.9 -2,-0.3 -1,-0.1 -0.261 35.4 -98.8 -73.0 168.1 25.1 21.7 -5.5 172 226 A A T 3 S+ 0 0 63 39,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.864 119.6 47.5 -59.8 -43.5 24.0 25.0 -7.0 173 227 A S T 3 S+ 0 0 85 38,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.666 88.1 101.8 -73.4 -19.2 27.2 27.0 -6.2 174 228 A R < + 0 0 97 -3,-0.9 50,-0.1 1,-0.1 -4,-0.1 -0.561 35.9 165.7 -76.2 123.2 29.5 24.3 -7.6 175 229 A E + 0 0 129 -2,-0.4 2,-0.4 49,-0.0 -1,-0.1 0.454 55.9 72.5-115.4 -6.9 30.9 25.1 -11.1 176 230 A S S S- 0 0 69 1,-0.1 49,-0.1 49,-0.0 48,-0.1 -0.886 80.4-126.7-109.3 147.3 33.8 22.6 -11.4 177 231 A A - 0 0 26 -2,-0.4 2,-0.4 47,-0.3 -1,-0.1 0.828 43.9-158.8 -60.7 -37.8 33.2 18.8 -11.8 178 232 A G + 0 0 38 2,-0.0 2,-0.9 -3,-0.0 -1,-0.2 -0.804 55.7 13.0 106.9-138.6 35.5 17.9 -8.8 179 233 A N + 0 0 92 -2,-0.4 3,-0.2 1,-0.1 0, 0.0 -0.782 65.0 163.3 -76.3 104.7 37.2 14.5 -8.2 180 234 A V + 0 0 59 -2,-0.9 3,-0.3 1,-0.1 5,-0.2 0.112 38.3 109.8-113.1 18.9 36.8 12.9 -11.6 181 235 A A S S+ 0 0 83 1,-0.2 -1,-0.1 3,-0.1 -32,-0.1 0.709 95.2 27.4 -69.0 -22.6 39.4 10.1 -11.1 182 236 A D S S+ 0 0 70 -34,-0.4 -32,-0.4 -3,-0.2 -1,-0.2 0.321 102.6 118.5-116.0 6.0 36.6 7.5 -10.9 183 237 A A - 0 0 25 -3,-0.3 2,-0.4 -34,-0.1 -35,-0.2 -0.189 55.3-150.5 -73.8 159.2 34.1 9.4 -13.1 184 238 A N > + 0 0 70 -37,-2.6 4,-1.6 -35,-0.1 3,-0.4 -0.832 20.2 176.2-125.2 85.5 32.6 8.5 -16.4 185 239 A L T 4 S+ 0 0 80 -2,-0.4 -1,-0.1 1,-0.2 -37,-0.1 0.806 76.6 57.8 -64.6 -31.7 32.0 11.9 -17.9 186 240 A A T 4 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.877 115.1 35.8 -63.5 -39.9 30.8 10.4 -21.1 187 241 A E T > S+ 0 0 60 -3,-0.4 4,-2.2 1,-0.2 3,-0.3 0.673 94.4 87.2 -89.8 -19.7 28.0 8.5 -19.4 188 242 A W H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.855 87.1 52.2 -56.3 -43.9 27.2 11.1 -16.6 189 243 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 111.4 45.8 -56.6 -47.3 24.6 13.1 -18.8 190 244 A A H > S+ 0 0 38 -4,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.845 111.4 53.8 -63.9 -36.8 22.6 9.9 -19.7 191 245 A T H X S+ 0 0 0 -4,-2.2 4,-1.5 -45,-0.3 -1,-0.2 0.897 108.4 48.6 -62.0 -45.1 22.7 8.9 -16.0 192 246 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.912 109.3 53.1 -61.9 -44.2 21.2 12.2 -14.9 193 247 A K H X S+ 0 0 110 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.913 106.2 53.2 -58.1 -43.7 18.5 12.0 -17.6 194 248 A R H X S+ 0 0 79 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.864 111.1 47.4 -58.5 -35.8 17.6 8.5 -16.2 195 249 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 3,-0.5 0.926 111.9 48.5 -70.8 -46.7 17.3 10.1 -12.8 196 250 A Q H < S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.0 48.4 -58.3 -42.3 15.2 13.1 -14.1 197 251 A Q H < S+ 0 0 135 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.684 114.7 46.1 -72.5 -20.9 12.8 10.7 -16.0 198 252 A R H < S+ 0 0 109 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.808 122.4 30.3 -92.8 -33.7 12.4 8.4 -12.9 199 253 A Y >< + 0 0 6 -4,-2.2 3,-1.5 1,-0.1 -1,-0.2 -0.378 65.3 147.3-127.0 57.0 11.8 11.0 -10.2 200 254 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.666 72.8 55.6 -70.9 -14.6 10.0 14.0 -11.9 201 255 A E T 3 S+ 0 0 141 -3,-0.1 2,-0.1 14,-0.0 -2,-0.0 0.335 73.0 133.9 -98.5 7.0 7.9 14.9 -8.8 202 256 A A < - 0 0 8 -3,-1.5 13,-0.4 1,-0.2 -40,-0.2 -0.377 34.2-172.0 -58.4 129.3 10.9 15.2 -6.4 203 257 A E S S+ 0 0 121 -42,-2.2 2,-0.4 1,-0.3 -41,-0.2 0.796 72.8 34.3 -90.0 -40.9 10.5 18.4 -4.3 204 258 A V E -j 162 0B 33 -43,-1.5 -41,-3.0 10,-0.1 2,-0.5 -0.978 62.0-169.3-121.1 133.2 14.0 18.2 -2.7 205 259 A V E -jK 163 213B 0 8,-3.0 8,-2.2 -2,-0.4 -41,-0.2 -0.990 10.9-160.5-116.7 118.5 17.2 17.0 -4.2 206 260 A I E -j 164 0B 0 -43,-2.9 -41,-2.6 -2,-0.5 -40,-0.9 -0.875 9.0-147.1-102.0 124.9 20.2 16.6 -1.8 207 261 A P E -j 166 0B 0 0, 0.0 -40,-0.2 0, 0.0 -41,-0.1 -0.389 26.4-111.2 -83.8 171.6 23.7 16.5 -3.2 208 262 A G S S+ 0 0 0 -42,-2.0 -169,-3.2 -39,-0.9 2,-0.4 0.831 107.2 24.8 -67.8 -33.4 26.6 14.5 -1.8 209 263 A H S S+ 0 0 58 -40,-0.5 -38,-0.5 -43,-0.3 -1,-0.2 -1.000 112.1 2.7-135.4 132.5 28.2 17.8 -0.9 210 264 A G S S- 0 0 7 -2,-0.4 -172,-0.0 -3,-0.1 -40,-0.0 -0.640 93.6 -9.7 106.1-153.5 26.7 21.2 -0.2 211 265 A L - 0 0 78 -2,-0.2 -39,-0.4 1,-0.1 -2,-0.1 -0.589 62.4-117.9 -90.7 140.2 23.2 22.7 0.0 212 277 A P + 0 0 41 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.384 38.9 161.1 -65.3 152.3 20.0 21.0 -1.0 213 278 A G B -K 205 0B 22 -8,-2.2 -8,-3.0 1,-0.2 2,-0.1 -0.663 36.6 -85.2-142.9-153.0 17.8 22.4 -3.8 214 279 A G > - 0 0 13 -10,-0.3 3,-1.7 -2,-0.2 4,-0.2 -0.162 66.4 -59.8-103.0-157.1 15.1 21.1 -6.1 215 280 A L T >> S+ 0 0 52 -13,-0.4 3,-1.3 1,-0.3 4,-0.7 0.612 118.8 82.7 -66.7 -13.8 15.2 19.3 -9.5 216 281 A E H 3> S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.817 79.3 70.0 -57.0 -29.1 17.1 22.2 -11.0 217 282 A L H <> S+ 0 0 2 -3,-1.7 4,-1.6 1,-0.2 -47,-0.4 0.782 89.9 59.5 -59.9 -29.7 20.2 20.5 -9.5 218 283 A L H <> S+ 0 0 0 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.944 110.2 38.7 -68.7 -48.3 20.1 17.6 -11.9 219 284 A Q H X S+ 0 0 87 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.859 110.7 61.0 -70.3 -36.2 20.5 19.7 -15.1 220 285 A H H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.884 104.6 50.5 -54.1 -38.9 22.9 22.0 -13.3 221 286 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.875 108.2 50.6 -67.1 -40.0 25.1 18.8 -12.9 222 287 A T H X S+ 0 0 26 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.875 111.0 50.2 -65.3 -37.4 24.8 18.0 -16.6 223 288 A N H >< S+ 0 0 94 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.932 110.1 49.1 -63.2 -46.8 25.8 21.6 -17.4 224 289 A V H 3< S+ 0 0 5 -4,-2.4 -47,-0.3 1,-0.3 -2,-0.2 0.837 105.5 57.2 -64.2 -32.3 28.9 21.4 -15.1 225 290 A V H 3< 0 0 16 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.658 360.0 360.0 -73.7 -15.8 30.0 18.1 -16.7 226 291 A K << 0 0 193 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 -0.512 360.0 360.0 73.5 360.0 30.1 19.9 -20.1