==== 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 HYDROLASE 21-JUN-06 2HDW . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA2218; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,U.RAMAGOPAL,S.C.ALMO,S.K.BURLEY,NEW . 639 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 5.3 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 4 0 0 2 0 0 4 4 2 0 0 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 1 5 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 . 2 0 0 2 0 0 0 0 2 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 0 0 0 0 2 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 47 A N 0 0 163 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 9.0 -12.5 31.1 29.8 2 48 A M - 0 0 111 30,-0.1 2,-0.5 1,-0.1 91,-0.1 -0.567 360.0-115.3 -78.7 142.8 -12.4 30.4 33.6 3 49 A Q - 0 0 195 -2,-0.2 2,-0.4 23,-0.0 -1,-0.1 -0.704 37.9-167.8 -81.2 123.0 -14.9 32.4 35.7 4 50 A L - 0 0 39 -2,-0.5 2,-0.8 31,-0.1 88,-0.1 -0.895 22.3-129.4-116.3 143.6 -12.9 34.6 38.0 5 51 A Q - 0 0 188 -2,-0.4 2,-0.4 86,-0.1 -2,-0.0 -0.806 31.0-171.8 -90.2 111.1 -14.1 36.6 41.0 6 52 A L - 0 0 31 -2,-0.8 2,-0.1 18,-0.1 18,-0.1 -0.896 22.9-119.3-108.5 134.0 -12.8 40.1 40.6 7 53 A T - 0 0 41 -2,-0.4 4,-0.1 1,-0.1 84,-0.0 -0.431 12.9-160.4 -70.4 143.5 -13.2 42.7 43.4 8 54 A Q + 0 0 154 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.501 61.0 107.4 -98.6 -8.5 -15.2 45.8 42.6 9 55 A E S S- 0 0 142 1,-0.1 2,-1.6 2,-0.1 -2,-0.1 -0.461 82.2-117.5 -69.3 139.8 -13.6 47.8 45.4 10 56 A W + 0 0 84 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.663 51.9 157.3 -80.8 92.6 -11.2 50.4 44.2 11 57 A D + 0 0 43 -2,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.034 21.8 133.3-107.4 28.9 -8.1 48.9 45.9 12 58 A K - 0 0 22 2,-0.2 53,-0.2 1,-0.1 52,-0.1 -0.330 66.0-122.1 -75.3 163.0 -5.5 50.5 43.6 13 59 A T S S+ 0 0 44 51,-2.5 -1,-0.1 52,-0.1 52,-0.1 0.272 97.8 46.0 -88.1 9.9 -2.4 52.2 45.0 14 60 A F S S- 0 0 19 50,-0.2 -2,-0.2 51,-0.1 2,-0.1 -0.968 97.4 -91.3-146.7 156.2 -3.4 55.4 43.2 15 61 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.377 44.6-101.6 -73.3 150.5 -6.7 57.3 42.9 16 62 A L - 0 0 91 -4,-0.1 2,-0.4 -2,-0.1 -6,-0.0 -0.505 39.5-123.5 -70.0 133.8 -9.1 56.6 40.0 17 63 A S > - 0 0 14 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.648 5.5-147.6 -84.3 133.9 -8.9 59.3 37.3 18 64 A A T 3 S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.638 96.6 65.2 -72.6 -13.1 -12.0 61.3 36.4 19 65 A K T 3 S+ 0 0 154 23,-0.0 24,-1.1 2,-0.0 2,-0.3 0.406 98.2 63.4 -89.8 3.1 -10.6 61.5 32.8 20 66 A V E < S-A 42 0A 7 -3,-1.3 2,-0.5 22,-0.2 56,-0.1 -0.910 70.9-134.0-131.0 156.3 -10.8 57.8 32.2 21 67 A E E -A 41 0A 78 20,-2.5 20,-2.0 -2,-0.3 2,-0.4 -0.931 32.6-167.9-105.7 126.5 -13.4 55.0 31.9 22 68 A H E +A 40 0A 54 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.922 19.3 149.5-124.7 146.4 -12.4 51.9 33.9 23 69 A R E -A 39 0A 114 16,-1.5 16,-2.6 -2,-0.4 2,-0.3 -0.964 39.6-110.1-163.0 154.1 -13.6 48.3 34.1 24 70 A K E -A 38 0A 33 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.692 35.4-179.5 -93.9 144.4 -12.1 44.9 34.8 25 71 A V E -A 37 0A 13 12,-2.7 12,-2.4 -2,-0.3 2,-0.3 -0.867 13.8-150.3-136.0 169.9 -11.7 42.2 32.1 26 72 A T E +A 36 0A 58 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.944 16.2 165.8-138.8 159.1 -10.5 38.7 31.7 27 73 A F E -A 35 0A 19 8,-1.5 8,-3.7 -2,-0.3 2,-0.2 -0.945 28.7-116.3-169.1 152.2 -8.9 36.6 28.9 28 74 A A E -A 34 0A 39 -2,-0.3 6,-0.3 6,-0.3 2,-0.2 -0.598 18.2-139.2 -99.2 158.7 -7.1 33.4 28.4 29 75 A N > - 0 0 8 4,-2.2 3,-1.9 -2,-0.2 79,-0.1 -0.581 38.0 -93.2-105.2 174.7 -3.5 32.6 27.2 30 76 A R T 3 S+ 0 0 25 1,-0.3 74,-0.0 -2,-0.2 530,-0.0 0.665 122.5 60.2 -62.1 -17.3 -2.4 29.8 24.9 31 77 A Y T 3 S- 0 0 5 2,-0.2 383,-0.3 73,-0.1 -1,-0.3 0.329 121.3-102.3 -95.2 9.2 -1.6 27.6 27.9 32 78 A G S < S+ 0 0 31 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.558 76.9 133.6 86.1 10.7 -5.2 27.7 29.1 33 79 A I - 0 0 15 60,-0.1 -4,-2.2 -32,-0.1 2,-0.5 -0.809 48.1-140.5 -98.9 133.8 -4.8 30.2 32.0 34 80 A T E -A 28 0A 3 -2,-0.4 59,-3.2 -6,-0.3 2,-0.3 -0.809 20.1-155.9 -93.4 125.8 -7.4 32.9 32.4 35 81 A L E -A 27 0A 0 -8,-3.7 -8,-1.5 -2,-0.5 2,-0.3 -0.725 6.6-139.0-104.0 152.0 -5.9 36.3 33.4 36 82 A A E +A 26 0A 0 49,-0.4 49,-2.8 -2,-0.3 2,-0.3 -0.825 29.7 166.6-105.9 147.1 -7.5 39.3 35.1 37 83 A A E -AB 25 84A 0 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.5 -0.988 35.6-120.8-156.8 162.9 -6.8 42.8 34.1 38 84 A D E -AB 24 83A 0 45,-3.1 45,-2.4 -2,-0.3 2,-0.5 -0.937 26.5-157.1-109.0 128.8 -7.8 46.5 34.4 39 85 A L E -AB 23 82A 0 -16,-2.6 -16,-1.5 -2,-0.5 2,-0.4 -0.925 7.8-169.7-109.9 129.2 -8.8 48.2 31.2 40 86 A Y E -AB 22 81A 0 41,-2.9 41,-3.3 -2,-0.5 -18,-0.2 -0.971 5.3-179.4-121.7 132.5 -8.6 52.0 30.9 41 87 A L E -A 21 0A 3 -20,-2.0 -20,-2.5 -2,-0.4 39,-0.2 -0.962 31.3-108.3-131.3 147.8 -10.0 54.1 28.0 42 88 A P E -A 20 0A 19 0, 0.0 3,-0.3 0, 0.0 -22,-0.2 -0.394 38.6-122.1 -69.1 150.3 -10.0 57.9 27.3 43 89 A K S S+ 0 0 87 -24,-1.1 -24,-0.0 1,-0.2 -23,-0.0 -0.511 85.8 25.8 -90.5 164.1 -13.4 59.6 27.6 44 90 A N S S- 0 0 164 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.942 85.6-165.1 48.0 58.8 -15.2 61.5 24.9 45 91 A R - 0 0 89 -3,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.433 10.4-128.6 -77.6 146.9 -13.5 59.6 22.1 46 92 A G - 0 0 68 -2,-0.1 -1,-0.1 2,-0.1 4,-0.1 0.160 38.2 -82.4 -75.7-160.5 -13.5 60.7 18.5 47 93 A G S S+ 0 0 85 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.757 99.1 80.8 -82.4 -26.5 -14.4 58.7 15.4 48 94 A D S S- 0 0 141 1,-0.1 -2,-0.1 75,-0.0 2,-0.1 -0.524 86.8-103.5 -84.8 149.1 -11.2 56.8 14.7 49 95 A R - 0 0 118 -2,-0.2 73,-0.2 73,-0.1 72,-0.1 -0.398 44.8-117.6 -66.6 146.7 -10.1 53.7 16.6 50 96 A L E -c 122 0A 31 71,-2.9 73,-2.5 1,-0.1 76,-0.2 -0.514 13.5-111.4 -93.8 154.8 -7.4 54.3 19.2 51 97 A P E - 0 0 9 0, 0.0 29,-2.0 0, 0.0 2,-0.3 -0.410 40.8-148.7 -73.0 158.3 -3.8 53.1 19.6 52 98 A A E -cd 127 80A 0 74,-2.9 76,-2.5 71,-0.3 2,-0.4 -0.950 14.3-158.5-135.7 155.4 -3.4 50.7 22.5 53 99 A I E -cd 128 81A 0 27,-2.3 29,-1.5 -2,-0.3 2,-0.5 -0.996 6.8-153.2-135.2 129.8 -0.7 49.8 25.1 54 100 A V E -cd 129 82A 0 74,-2.2 76,-2.5 -2,-0.4 2,-0.4 -0.895 18.1-163.7-102.5 129.1 -0.4 46.6 27.2 55 101 A I E +cd 130 83A 0 27,-2.9 29,-1.1 -2,-0.5 2,-0.3 -0.947 13.1 168.5-120.0 130.7 1.5 47.1 30.5 56 102 A G E +c 131 0A 0 74,-2.0 76,-2.7 -2,-0.4 3,-0.1 -0.957 19.9 53.5-136.4 154.9 3.0 44.5 32.7 57 103 A G + 0 0 4 1,-0.4 10,-0.7 27,-0.4 76,-0.2 -0.313 22.3 138.6 110.4 164.2 5.3 44.5 35.7 58 104 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 2,-0.6 0.592 69.9-112.2 -69.8 170.1 7.0 44.6 38.2 59 105 A F T 3 S+ 0 0 14 1,-0.3 75,-0.1 -2,-0.2 3,-0.1 -0.613 107.6 18.3 -72.3 115.0 7.8 40.9 38.4 60 106 A G T 3 S+ 0 0 5 -2,-0.6 173,-2.8 1,-0.5 174,-0.3 0.544 107.9 107.3 98.4 9.0 6.0 39.8 41.6 61 107 A A < - 0 0 5 -3,-1.9 -1,-0.5 170,-0.2 2,-0.2 -0.748 61.0-130.9-114.7 163.7 3.7 42.8 41.6 62 108 A V > - 0 0 2 -2,-0.3 3,-2.3 23,-0.1 5,-0.4 -0.729 30.0 -99.6-113.6 166.4 -0.0 43.1 40.7 63 109 A K T 3 S+ 0 0 0 1,-0.3 5,-0.5 -2,-0.2 6,-0.1 0.674 115.9 67.4 -56.3 -22.6 -2.0 45.4 38.4 64 110 A E T 3 S+ 0 0 0 4,-0.1 -51,-2.5 3,-0.1 -1,-0.3 0.612 101.8 55.1 -76.3 -9.4 -3.1 47.5 41.4 65 111 A Q S X> S- 0 0 0 -3,-2.3 4,-1.7 -53,-0.2 3,-0.7 0.249 121.9 -28.6 -96.3-138.4 0.5 48.7 41.8 66 112 A S H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.825 131.0 54.8 -49.3 -46.9 2.9 50.3 39.3 67 113 A S H 3> S+ 0 0 1 -10,-0.7 4,-2.8 -5,-0.4 -1,-0.2 0.897 108.9 50.6 -58.5 -38.6 1.5 48.8 36.1 68 114 A G H <> S+ 0 0 0 -3,-0.7 4,-2.7 -5,-0.5 5,-0.3 0.915 108.6 50.9 -64.3 -43.2 -1.9 50.2 36.9 69 115 A L H X S+ 0 0 22 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.912 113.0 46.8 -60.2 -42.9 -0.6 53.6 37.6 70 116 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.938 112.1 50.2 -63.5 -48.0 1.2 53.5 34.2 71 117 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.902 112.9 44.7 -58.9 -45.7 -1.9 52.3 32.4 72 118 A Q H X S+ 0 0 10 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.918 113.8 50.5 -66.4 -41.9 -4.2 54.9 33.9 73 119 A T H X S+ 0 0 8 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.903 112.2 46.0 -62.7 -42.8 -1.7 57.7 33.2 74 120 A M H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.2 0.808 107.2 58.5 -72.3 -26.4 -1.2 56.7 29.6 75 121 A A H ><5S+ 0 0 1 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.830 102.8 53.4 -69.2 -30.8 -5.0 56.4 29.2 76 122 A E H 3<5S+ 0 0 84 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.720 102.3 61.2 -73.1 -19.3 -5.1 60.1 30.2 77 123 A R T 3<5S- 0 0 85 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.276 131.1 -91.3 -89.1 9.3 -2.6 60.6 27.4 78 124 A G T < 5S+ 0 0 33 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.532 87.5 119.6 97.1 6.3 -5.0 59.3 24.8 79 125 A F < - 0 0 0 -5,-1.8 2,-0.5 -8,-0.1 -1,-0.3 -0.743 63.8-124.4-106.0 153.4 -4.2 55.6 24.7 80 126 A V E - d 0 52A 0 -29,-2.0 -27,-2.3 -2,-0.3 2,-0.3 -0.843 45.5-169.6 -88.5 129.1 -6.5 52.6 25.4 81 127 A T E -Bd 40 53A 0 -41,-3.3 -41,-2.9 -2,-0.5 2,-0.4 -0.876 23.8-164.8-129.7 161.8 -4.6 50.7 28.1 82 128 A L E -Bd 39 54A 0 -29,-1.5 -27,-2.9 -2,-0.3 2,-0.5 -0.983 2.8-169.3-146.0 127.1 -4.5 47.4 30.0 83 129 A A E -Bd 38 55A 0 -45,-2.4 -45,-3.1 -2,-0.4 2,-0.3 -0.978 23.7-170.3-115.1 124.8 -2.7 46.4 33.2 84 130 A F E -B 37 0A 2 -29,-1.1 -27,-0.4 -2,-0.5 -47,-0.2 -0.814 26.5-121.2-121.7 158.9 -2.9 42.6 33.9 85 131 A D - 0 0 0 -49,-2.8 -49,-0.4 -2,-0.3 3,-0.1 -0.847 39.6-119.3 -95.1 124.2 -2.1 40.1 36.6 86 132 A P > - 0 0 6 0, 0.0 3,-2.0 0, 0.0 6,-0.3 -0.141 46.8 -70.4 -58.2 157.6 0.4 37.5 35.4 87 133 A S T 3 S+ 0 0 1 1,-0.3 7,-0.2 17,-0.1 12,-0.2 -0.142 120.8 14.0 -48.3 142.5 -0.6 33.8 35.3 88 134 A Y T 3 S+ 0 0 9 5,-2.4 10,-3.3 1,-0.2 2,-0.3 0.441 115.7 88.2 69.2 0.9 -0.9 32.2 38.8 89 135 A T S X S- 0 0 6 -3,-2.0 3,-1.8 4,-0.2 -1,-0.2 -0.812 79.7 -3.9-129.0 169.2 -0.9 35.6 40.5 90 136 A G T 3 S- 0 0 11 140,-0.7 -28,-0.1 -2,-0.3 8,-0.0 -0.281 125.1 -26.5 55.6-129.5 -3.2 38.5 41.6 91 137 A E T 3 S+ 0 0 19 -55,-0.1 -1,-0.3 -87,-0.0 -86,-0.1 0.457 112.2 109.7 -95.4 -3.1 -6.8 37.8 40.5 92 138 A S S < S- 0 0 3 -3,-1.8 -57,-0.2 -6,-0.3 -5,-0.0 -0.227 70.8-110.8 -68.1 162.5 -5.7 35.7 37.6 93 139 A G + 0 0 4 -59,-3.2 -5,-2.4 -91,-0.1 -4,-0.2 -0.149 59.3 104.1 -83.7-176.0 -6.4 32.0 37.6 94 140 A G - 0 0 17 -7,-0.2 4,-0.1 -6,-0.1 257,-0.1 0.009 53.5 -99.0 113.8 139.2 -3.8 29.2 37.8 95 141 A Q S S+ 0 0 124 255,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.993 92.8 42.0-146.6 145.2 -2.6 26.8 40.4 96 142 A P S S- 0 0 28 0, 0.0 3,-0.4 0, 0.0 143,-0.1 0.544 97.5-120.0 -63.0 157.2 -0.4 26.4 42.4 97 143 A R S S+ 0 0 60 1,-0.2 -8,-0.2 -2,-0.2 -2,-0.1 -0.358 85.3 18.1 -70.4 150.6 -0.7 30.0 43.3 98 144 A N S S+ 0 0 24 -10,-3.3 141,-1.6 1,-0.2 2,-0.3 0.903 81.9 135.7 55.7 53.2 2.4 32.2 42.8 99 145 A V - 0 0 1 -3,-0.4 2,-0.3 139,-0.2 -1,-0.2 -0.896 32.8-164.2-120.7 152.5 4.5 30.1 40.4 100 146 A A - 0 0 2 -2,-0.3 145,-0.2 139,-0.1 146,-0.2 -0.909 14.7-175.8-137.5 167.8 6.3 31.8 37.4 101 147 A S > - 0 0 1 -2,-0.3 4,-2.6 144,-0.1 5,-0.3 -0.949 30.2-134.5-161.7 137.8 8.0 30.9 34.2 102 148 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.865 110.5 47.3 -65.3 -31.1 9.8 32.9 31.5 103 149 A D H > S+ 0 0 4 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.978 116.1 40.3 -71.0 -58.7 7.9 31.0 28.8 104 150 A I H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -17,-0.1 0.881 117.0 50.1 -59.7 -40.3 4.4 31.3 30.3 105 151 A N H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.878 107.9 52.1 -69.2 -35.8 5.0 34.9 31.4 106 152 A T H >X S+ 0 0 11 -4,-1.5 4,-1.1 -5,-0.3 3,-0.5 0.939 110.2 51.1 -63.4 -41.3 6.2 35.9 28.0 107 153 A E H 3X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.879 99.5 64.4 -61.1 -38.5 3.0 34.3 26.7 108 154 A D H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.882 99.0 54.2 -53.3 -40.8 0.9 36.4 29.2 109 155 A F H X S+ 0 0 47 -4,-1.4 3,-1.1 2,-0.2 4,-0.5 0.960 113.8 49.3 -71.9 -54.1 -7.6 40.8 24.1 116 162 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.841 106.4 62.7 -55.8 -32.3 -6.8 44.5 23.8 117 163 A S H 3< S+ 0 0 0 -4,-2.0 7,-0.4 -5,-0.3 -1,-0.3 0.788 99.7 50.3 -63.2 -34.8 -6.7 43.9 20.0 118 164 A L H << S+ 0 0 53 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.496 80.9 119.5 -86.3 -3.9 -10.3 42.8 19.6 119 165 A L X< - 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