==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-10 3M65 . COMPND 2 MOLECULE: ATP-DEPENDENT PROTEASE LA 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.E.DUMAN,J.Y.LOWE . 408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 21.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 37 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 4 0 2 2 0 0 0 2 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 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 4 A E 0 0 153 0, 0.0 110,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.5 -55.5 -15.8 3.0 2 5 A L E -A 110 0A 78 108,-0.2 2,-0.5 106,-0.0 108,-0.2 -0.814 360.0-171.8-111.8 134.0 -57.4 -12.6 3.9 3 6 A K E -A 109 0A 45 106,-2.9 106,-2.7 -2,-0.4 3,-0.3 -0.982 18.0-155.9-119.3 118.5 -60.0 -11.8 6.6 4 7 A R E + 0 0 187 -2,-0.5 104,-0.2 104,-0.2 103,-0.0 -0.710 63.2 6.9 -97.6 145.2 -61.7 -8.5 6.3 5 8 A S E S+ 0 0 75 -2,-0.3 103,-0.2 1,-0.2 -1,-0.2 0.868 71.5 170.8 60.5 49.1 -63.3 -6.4 9.1 6 9 A I E -A 107 0A 5 101,-3.2 101,-2.3 -3,-0.3 -1,-0.2 -0.788 37.8-115.6 -90.1 125.1 -62.3 -8.4 12.2 7 10 A P E -A 106 0A 7 0, 0.0 39,-2.6 0, 0.0 2,-0.4 -0.368 32.4-131.3 -60.8 134.8 -63.1 -6.7 15.5 8 11 A L E -b 46 0A 3 97,-2.6 97,-0.4 37,-0.2 39,-0.2 -0.736 21.4-172.2 -97.0 135.7 -59.9 -5.9 17.4 9 12 A L E -b 47 0A 4 37,-2.7 39,-1.6 -2,-0.4 2,-0.4 -0.922 14.6-151.6-125.2 103.5 -59.4 -6.7 21.1 10 13 A P E -b 48 0A 16 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.639 14.2-147.1 -75.6 126.0 -56.1 -5.2 22.4 11 14 A L E -b 49 0A 12 37,-1.7 39,-3.2 -2,-0.4 2,-0.6 -0.725 2.0-146.6 -94.3 144.0 -54.8 -7.3 25.3 12 15 A R S S- 0 0 98 -2,-0.3 3,-0.1 37,-0.2 39,-0.1 -0.943 75.8 -17.2-111.7 120.0 -52.9 -5.9 28.3 13 16 A G S S+ 0 0 50 -2,-0.6 2,-0.3 37,-0.4 -1,-0.2 0.833 117.8 88.9 65.2 36.4 -50.1 -7.9 29.9 14 17 A L - 0 0 56 36,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.976 55.4-159.6-164.5 139.1 -51.3 -11.1 28.3 15 18 A L - 0 0 14 -2,-0.3 2,-0.5 356,-0.1 33,-0.0 -0.995 8.5-151.7-132.2 132.6 -50.6 -13.0 25.1 16 19 A V - 0 0 3 -2,-0.4 33,-0.1 31,-0.1 31,-0.1 -0.902 10.4-161.9-107.9 125.2 -52.8 -15.7 23.5 17 20 A Y > - 0 0 0 -2,-0.5 3,-2.0 1,-0.1 72,-0.4 -0.682 38.9 -79.1 -96.0 155.6 -51.3 -18.4 21.3 18 21 A P T 3 S+ 0 0 12 0, 0.0 72,-0.3 0, 0.0 -1,-0.1 -0.242 117.7 20.4 -48.9 134.1 -53.2 -20.6 18.9 19 22 A T T 3 S+ 0 0 63 70,-3.3 2,-0.2 1,-0.3 71,-0.1 0.245 91.0 129.6 84.7 -9.5 -55.1 -23.5 20.6 20 23 A M < - 0 0 39 -3,-2.0 69,-2.4 2,-0.0 2,-0.5 -0.553 41.7-161.5 -71.5 139.3 -55.0 -21.7 24.0 21 24 A V E +C 88 0A 82 -2,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.987 23.4 147.4-127.3 120.3 -58.5 -21.5 25.7 22 25 A L E -C 87 0A 38 65,-1.6 65,-2.6 -2,-0.5 2,-0.3 -0.976 43.9-112.9-149.5 159.2 -59.1 -19.0 28.4 23 26 A H E -C 86 0A 96 -2,-0.3 2,-0.4 63,-0.2 63,-0.2 -0.678 30.9-165.9 -86.1 149.4 -61.6 -16.8 30.1 24 27 A L E -C 85 0A 20 61,-2.3 61,-2.3 -2,-0.3 2,-0.7 -0.998 16.8-142.6-134.9 140.1 -61.2 -13.0 29.8 25 28 A D E -C 84 0A 112 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.912 25.7-164.7-100.7 112.0 -62.9 -10.2 31.8 26 29 A V E +C 83 0A 12 57,-2.9 57,-2.3 -2,-0.7 -2,-0.0 -0.838 28.6 145.3-106.6 129.5 -63.5 -7.3 29.4 27 30 A G + 0 0 42 -2,-0.4 -1,-0.1 55,-0.2 5,-0.1 0.665 33.7 108.8-130.0 -37.4 -64.4 -3.8 30.4 28 31 A R S >> S- 0 0 49 1,-0.1 4,-2.5 2,-0.1 3,-1.0 -0.269 70.6-129.0 -48.3 127.4 -62.9 -1.2 28.1 29 32 A D H 3> S+ 0 0 141 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.892 108.0 47.7 -46.2 -49.6 -65.8 0.3 26.2 30 33 A K H 3> S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 75,-0.4 0.738 111.9 51.7 -70.9 -21.0 -64.1 -0.2 22.8 31 34 A S H <> S+ 0 0 2 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.881 108.9 47.6 -81.0 -41.9 -63.2 -3.8 23.8 32 35 A V H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.902 111.2 52.9 -67.8 -36.2 -66.8 -4.8 24.8 33 36 A Q H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.920 106.1 53.2 -59.9 -44.7 -68.1 -3.3 21.6 34 37 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.928 111.6 46.4 -56.1 -46.8 -65.6 -5.3 19.5 35 38 A L H >X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 3,-0.6 0.978 113.5 47.1 -56.9 -58.3 -66.9 -8.5 21.3 36 39 A E H 3< S+ 0 0 63 -4,-2.9 4,-0.5 1,-0.3 -2,-0.2 0.843 111.0 53.6 -52.3 -37.1 -70.5 -7.6 20.8 37 40 A Q H >< S+ 0 0 38 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.3 0.867 108.1 49.3 -68.7 -35.8 -69.8 -6.7 17.1 38 41 A A H X<>S+ 0 0 1 -4,-1.8 5,-2.2 -3,-0.6 3,-2.1 0.894 104.4 58.2 -70.7 -40.7 -68.2 -10.2 16.6 39 42 A M T 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.625 97.9 62.6 -63.9 -12.5 -71.2 -12.0 18.1 40 43 A M T < 5S+ 0 0 124 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.379 120.4 15.3 -90.0 3.0 -73.4 -10.3 15.5 41 44 A H T < 5S- 0 0 113 -3,-2.1 -3,-0.1 3,-0.1 -4,-0.0 -0.176 129.1 -23.8-140.1-124.9 -71.4 -12.2 12.8 42 45 A D T 5S- 0 0 84 2,-0.1 -3,-0.2 -2,-0.1 3,-0.1 0.387 77.4-116.1 -87.6 4.5 -69.0 -15.1 12.7 43 46 A H S S- 0 0 49 10,-0.6 3,-1.2 1,-0.1 -1,-0.2 -0.891 71.2-161.7-103.4 113.7 -47.6 -0.1 26.5 53 56 A I T 3 S+ 0 0 99 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.611 83.3 62.4 -71.1 -13.0 -49.7 -1.5 29.2 54 57 A S T 3 S+ 0 0 104 2,-0.0 -1,-0.3 -42,-0.0 2,-0.2 0.582 78.0 98.0 -94.0 -13.2 -50.7 1.9 30.6 55 58 A I < - 0 0 47 -3,-1.2 -5,-0.1 1,-0.1 -3,-0.0 -0.560 48.7-170.4 -78.1 141.5 -52.6 3.2 27.5 56 59 A D S S+ 0 0 106 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.696 83.7 37.8-103.8 -27.4 -56.4 2.9 27.6 57 60 A E S S- 0 0 147 -27,-0.0 -1,-0.2 -29,-0.0 2,-0.2 -0.733 82.6-167.7-125.1 81.6 -57.1 3.9 24.0 58 61 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -8,-0.0 -0.494 6.9-151.1 -74.0 132.7 -54.2 2.4 21.9 59 62 A G >> - 0 0 23 -2,-0.2 3,-1.7 1,-0.0 4,-0.6 -0.371 43.3 -87.1 -87.2 178.2 -53.7 3.5 18.3 60 63 A E G >4 S+ 0 0 76 1,-0.3 3,-1.0 2,-0.2 -1,-0.0 0.848 128.3 63.6 -57.3 -32.4 -52.2 1.1 15.8 61 64 A D G 34 S+ 0 0 143 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.782 102.5 49.8 -60.8 -27.8 -48.8 2.3 16.8 62 65 A E G <4 S+ 0 0 55 -3,-1.7 -11,-3.6 2,-0.1 -10,-0.6 0.506 101.2 69.4 -93.6 -8.9 -49.3 0.9 20.3 63 66 A I B << S-G 50 0B 3 -3,-1.0 -13,-0.2 -4,-0.6 -14,-0.1 -0.853 88.7-108.4-106.1 146.0 -50.5 -2.6 19.4 64 67 A F - 0 0 40 -15,-2.4 31,-0.1 -2,-0.4 -2,-0.1 -0.386 22.2-132.8 -64.2 152.2 -48.3 -5.3 17.8 65 68 A T S S+ 0 0 68 29,-0.1 30,-3.3 -4,-0.1 2,-0.4 0.790 89.2 62.5 -81.4 -29.1 -49.0 -6.0 14.2 66 69 A V E + E 0 94A 14 28,-0.2 -17,-0.3 -17,-0.1 28,-0.2 -0.835 65.9 136.2 -99.7 139.3 -49.1 -9.8 14.6 67 70 A G E - E 0 93A 2 26,-2.4 26,-2.2 -2,-0.4 2,-0.5 -0.751 50.9 -68.2-154.5-161.1 -51.7 -11.4 16.8 68 71 A T E -DE 47 92A 1 -21,-2.5 -21,-1.9 -2,-0.2 2,-0.3 -0.928 28.0-135.9-121.4 114.4 -54.1 -14.3 17.0 69 72 A Y E -DE 46 91A 12 22,-2.3 21,-2.2 -2,-0.5 22,-1.3 -0.505 44.5-167.4 -59.7 122.4 -57.2 -14.8 14.9 70 73 A T E -DE 45 89A 0 -25,-3.2 -25,-2.2 -2,-0.3 2,-0.5 -0.860 24.9-138.2-131.6 150.1 -59.6 -16.0 17.7 71 74 A K E -DE 44 88A 62 17,-2.4 17,-1.9 -2,-0.3 2,-0.5 -0.926 15.3-138.8-111.0 127.9 -63.0 -17.6 18.3 72 75 A I E + E 0 87A 1 -29,-2.8 15,-0.2 -2,-0.5 3,-0.1 -0.704 24.0 176.4 -75.5 124.5 -65.4 -16.5 20.9 73 76 A K E + 0 0 113 13,-3.5 2,-0.3 -2,-0.5 14,-0.2 0.821 66.9 4.7-100.3 -41.7 -66.8 -19.7 22.4 74 77 A Q E - E 0 86A 120 12,-1.2 12,-2.8 2,-0.0 2,-0.4 -0.996 63.3-167.1-142.1 141.1 -69.1 -18.4 25.1 75 78 A M E - E 0 85A 56 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.995 2.5-170.2-133.2 131.1 -69.9 -14.8 26.0 76 79 A L E - E 0 84A 75 8,-2.2 8,-3.0 -2,-0.4 2,-0.7 -0.979 16.5-142.6-126.3 122.5 -71.6 -13.7 29.2 77 80 A K E - E 0 83A 106 -2,-0.5 6,-0.2 6,-0.2 5,-0.0 -0.774 26.8-145.0 -87.1 114.3 -72.9 -10.1 29.8 78 81 A L > - 0 0 42 4,-2.9 3,-0.9 -2,-0.7 -1,-0.0 -0.169 21.9-104.3 -77.8 168.1 -72.2 -9.2 33.5 79 82 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.943 118.2 50.6 -55.7 -53.1 -74.4 -7.1 35.9 80 83 A N T 3 S- 0 0 124 1,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.515 126.1 -95.5 -67.8 -7.5 -72.1 -4.0 35.7 81 84 A G S < S+ 0 0 31 -3,-0.9 -1,-0.1 1,-0.4 2,-0.1 0.442 87.6 126.7 103.0 4.2 -72.1 -4.0 31.9 82 85 A T - 0 0 31 -5,-0.0 -4,-2.9 -50,-0.0 2,-0.4 -0.374 52.1-131.9 -84.9 167.9 -68.8 -5.9 31.7 83 86 A I E -CE 26 77A 0 -57,-2.3 -57,-2.9 -6,-0.2 2,-0.6 -0.980 9.6-158.9-127.9 139.7 -68.4 -9.1 29.7 84 87 A R E -CE 25 76A 85 -8,-3.0 -8,-2.2 -2,-0.4 2,-0.4 -0.963 25.0-179.1-115.9 115.7 -66.8 -12.5 30.6 85 88 A V E -CE 24 75A 0 -61,-2.3 -61,-2.3 -2,-0.6 2,-0.6 -0.879 25.6-146.6-121.2 144.0 -65.8 -14.3 27.4 86 89 A L E -CE 23 74A 36 -12,-2.8 -13,-3.5 -2,-0.4 -12,-1.2 -0.953 30.6-178.2-105.0 121.6 -64.3 -17.7 26.8 87 90 A V E -CE 22 72A 0 -65,-2.6 -65,-1.6 -2,-0.6 2,-0.4 -0.811 20.6-153.0-121.1 162.7 -62.0 -17.6 23.7 88 91 A E E -CE 21 71A 53 -17,-1.9 -17,-2.4 -2,-0.3 -67,-0.2 -0.972 19.0-132.0-135.1 120.4 -59.8 -20.0 21.7 89 92 A G E + E 0 70A 0 -69,-2.4 -70,-3.3 -72,-0.4 -19,-0.2 -0.459 30.4 170.0 -65.2 137.1 -56.8 -19.0 19.7 90 93 A L E - 0 0 47 -21,-2.2 2,-0.3 1,-0.4 -20,-0.2 0.792 52.3 -5.9-113.3 -57.2 -56.9 -20.4 16.2 91 94 A K E - E 0 69A 103 -22,-1.3 -22,-2.3 -73,-0.1 -1,-0.4 -0.980 62.9-111.7-145.4 148.5 -54.2 -19.1 13.9 92 95 A R E + E 0 68A 3 20,-0.4 20,-2.8 -2,-0.3 2,-0.3 -0.588 44.2 164.1 -82.0 152.7 -51.5 -16.4 13.8 93 96 A A E -FE 111 67A 0 -26,-2.2 -26,-2.4 18,-0.3 2,-0.4 -0.967 28.8-123.4-159.5 163.7 -52.1 -13.5 11.5 94 97 A H E -FE 110 66A 67 16,-1.9 16,-1.7 -2,-0.3 -28,-0.2 -0.976 27.2-110.0-129.3 139.4 -50.9 -9.9 10.8 95 98 A I E +F 109 0A 13 -30,-3.3 14,-0.2 -2,-0.4 3,-0.1 -0.414 38.7 166.5 -64.8 129.6 -52.8 -6.7 10.7 96 99 A V E + 0 0 67 12,-3.5 2,-0.3 1,-0.4 13,-0.2 0.490 67.4 22.0-127.0 -15.0 -52.8 -5.5 7.1 97 100 A K E -F 108 0A 111 11,-1.3 11,-2.7 2,-0.0 2,-0.7 -0.931 67.3-147.9-156.6 133.5 -55.5 -2.7 7.3 98 101 A Y E -F 107 0A 41 -2,-0.3 2,-1.0 9,-0.2 9,-0.2 -0.888 11.3-174.3-112.5 106.3 -56.6 -0.7 10.3 99 102 A N E -F 106 0A 26 7,-2.3 7,-2.0 -2,-0.7 2,-0.8 -0.732 7.6-166.9-101.8 86.1 -60.2 0.4 10.3 100 103 A E E -F 105 0A 123 -2,-1.0 5,-0.2 5,-0.2 2,-0.1 -0.634 12.5-177.4 -75.8 110.1 -60.7 2.6 13.4 101 104 A H - 0 0 84 3,-1.4 -1,-0.0 -2,-0.8 5,-0.0 -0.349 37.1-107.0 -94.1-177.2 -64.4 3.0 13.9 102 105 A E S S+ 0 0 158 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.889 114.7 35.2 -79.3 -41.2 -66.1 5.1 16.6 103 106 A D S S- 0 0 84 1,-0.2 2,-0.3 -70,-0.1 -70,-0.3 0.671 133.5 -21.4 -87.9 -18.3 -67.4 2.3 18.8 104 107 A Y S S- 0 0 28 -71,-0.1 -3,-1.4 -70,-0.1 2,-0.3 -0.961 71.4 -93.6-177.2 170.2 -64.5 -0.1 18.4 105 108 A T E - F 0 100A 16 -97,-0.4 -97,-2.6 -75,-0.4 2,-0.3 -0.805 30.4-165.0-109.9 153.4 -61.7 -0.9 16.0 106 109 A S E -AF 7 99A 2 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.3 -0.918 6.8-160.2-133.8 156.7 -61.8 -3.4 13.2 107 110 A V E -AF 6 98A 0 -101,-2.3 -101,-3.2 -2,-0.3 2,-0.5 -0.991 19.2-137.2-147.7 143.5 -58.9 -4.9 11.3 108 111 A D E - F 0 97A 12 -11,-2.7 -12,-3.5 -2,-0.3 -11,-1.3 -0.890 36.7-177.0 -96.3 132.5 -58.0 -6.7 8.0 109 112 A I E -AF 3 95A 0 -106,-2.7 -106,-2.9 -2,-0.5 2,-0.5 -0.917 25.9-143.1-133.2 155.2 -55.7 -9.5 8.6 110 113 A Q E -AF 2 94A 73 -16,-1.7 -16,-1.9 -2,-0.3 -108,-0.2 -0.983 28.5-123.6-117.4 124.2 -53.8 -12.1 6.7 111 114 A L E - F 0 93A 28 -110,-2.0 2,-0.4 -2,-0.5 -18,-0.3 -0.376 25.5-138.9 -62.1 140.3 -53.4 -15.6 8.2 112 115 A I - 0 0 48 -20,-2.8 -20,-0.4 -2,-0.1 2,-0.3 -0.841 13.9-149.4-105.7 139.1 -49.8 -16.7 8.6 113 116 A H + 0 0 140 -2,-0.4 274,-0.0 1,-0.1 -22,-0.0 -0.787 23.3 155.6-114.8 161.1 -48.6 -20.3 7.8 114 117 A E 0 0 58 -2,-0.3 -1,-0.1 274,-0.1 273,-0.1 0.891 360.0 360.0 -99.8 -95.2 -45.8 -22.5 9.2 115 118 A D 0 0 124 273,-0.1 273,-0.1 272,-0.1 272,-0.0 -0.150 360.0 360.0-147.0 360.0 -45.6 -25.5 9.2 116 ! 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 0.0 117 121 A K 0 0 113 0, 0.0 244,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 96.0 -43.2 -32.3 11.5 118 122 A D - 0 0 77 1,-0.1 4,-0.5 4,-0.0 0, 0.0 0.075 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-4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.886 109.3 49.1 -71.1 -41.3 -48.5 -24.7 45.2 345 143 B S H X S+ 0 0 40 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.960 111.3 51.7 -57.9 -50.6 -45.8 -23.6 42.6 346 144 B K H X S+ 0 0 106 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.893 112.8 45.4 -53.2 -43.2 -44.4 -27.1 42.8 347 145 B K H X S+ 0 0 107 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 114.1 47.5 -69.8 -42.8 -47.8 -28.6 42.1 348 146 B I H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.953 111.6 48.7 -63.8 -49.0 -48.7 -26.2 39.3 349 147 B S H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.817 109.9 53.8 -66.5 -30.0 -45.5 -26.6 37.4 350 148 B A H X S+ 0 0 53 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.940 107.2 48.8 -67.0 -49.4 -45.7 -30.4 37.7 351 149 B E H X S+ 0 0 92 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.858 112.1 52.5 -58.1 -34.6 -49.2 -30.5 36.1 352 150 B T H X S+ 0 0 20 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.963 106.4 50.3 -65.7 -52.1 -47.8 -28.2 33.4 353 151 B Y H X S+ 0 0 61 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.868 111.8 49.6 -54.7 -39.2 -44.9 -30.5 32.6 354 152 B A H X S+ 0 0 54 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.861 111.4 48.1 -67.8 -37.0 -47.3 -33.5 32.4 355 153 B A H >< S+ 0 0 63 -4,-1.8 3,-0.9 -3,-0.2 -2,-0.2 0.948 113.2 46.8 -66.9 -48.8 -49.6 -31.6 30.0 356 154 B V H >< S+ 0 0 1 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.814 102.4 66.5 -65.0 -31.6 -46.8 -30.4 27.8 357 155 B T H 3< S+ 0 0 59 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.830 97.2 54.4 -55.8 -36.7 -45.4 -34.0 27.8 358 156 B D T << S+ 0 0 126 -3,-0.9 2,-0.6 -4,-0.8 -1,-0.3 0.008 80.3 115.4 -92.2 27.5 -48.4 -35.3 25.8 359 157 B I < - 0 0 7 -3,-1.3 6,-0.1 1,-0.1 -3,-0.0 -0.886 39.1-178.1-103.1 118.3 -48.1 -32.8 23.0 360 158 B E + 0 0 126 -2,-0.6 -1,-0.1 4,-0.0 -235,-0.1 0.670 60.3 82.1 -87.8 -19.4 -47.4 -34.3 19.6 361 159 B E > - 0 0 94 1,-0.1 4,-2.4 -236,-0.0 5,-0.2 -0.794 65.6-152.4 -97.3 121.8 -47.1 -31.1 17.5 362 160 B P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 95.7 49.0 -59.3 -41.3 -43.8 -29.2 17.6 363 161 B G H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.914 112.8 47.5 -68.1 -41.9 -45.3 -25.8 17.0 364 162 B R H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.820 110.4 52.7 -69.9 -32.8 -47.9 -26.3 19.6 365 163 B M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.939 108.6 50.0 -68.2 -43.8 -45.4 -27.5 22.1 366 164 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 113.6 46.0 -59.4 -45.5 -43.2 -24.4 21.6 367 165 B D H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.958 114.9 45.3 -60.6 -50.9 -46.2 -22.1 22.0 368 166 B I H X S+ 0 0 23 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.904 113.0 48.8 -66.6 -42.5 -47.5 -23.8 25.1 369 167 B V H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-1.2 0.920 111.6 51.4 -60.9 -43.8 -44.2 -24.1 26.9 370 168 B A H 3< S+ 0 0 0 -4,-2.0 5,-0.3 -5,-0.3 -2,-0.2 0.863 103.0 59.5 -59.3 -38.0 -43.5 -20.4 26.1 371 169 B S H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.649 109.2 43.8 -68.1 -12.9 -46.9 -19.4 27.6 372 170 B H H << S+ 0 0 96 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.663 92.4 94.4-102.9 -22.8 -45.8 -21.0 31.0 373 171 B L S < S- 0 0 4 -4,-1.3 2,-1.7 -3,-0.2 27,-0.0 -0.377 88.4-111.8 -64.1 148.6 -42.3 -19.6 31.2 374 172 B P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.547 63.2 154.5 -79.3 67.9 -41.8 -16.4 33.2 375 173 B L - 0 0 18 -2,-1.7 2,-0.1 -5,-0.3 5,-0.0 -0.717 51.2-104.9 -99.1 148.7 -40.9 -14.4 30.0 376 174 B K >> - 0 0 134 -2,-0.3 4,-1.7 1,-0.1 3,-1.4 -0.459 38.0-113.0 -61.7 144.6 -41.3 -10.7 29.4 377 175 B L H 3> S+ 0 0 44 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.860 117.3 59.3 -47.1 -43.1 -44.3 -10.0 27.0 378 176 B K H 3> S+ 0 0 123 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.811 106.2 49.2 -61.6 -29.3 -41.9 -8.8 24.2 379 177 B D H <> S+ 0 0 31 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.890 111.1 47.7 -73.5 -42.1 -40.2 -12.3 24.4 380 178 B K H X S+ 0 0 42 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.900 110.9 52.7 -62.3 -40.9 -43.6 -14.1 24.2 381 179 B Q H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.859 104.5 56.7 -62.4 -34.9 -44.5 -11.8 21.3 382 180 B D H < S+ 0 0 52 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.938 106.0 49.2 -60.3 -47.2 -41.2 -12.8 19.7 383 181 B I H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.922 110.9 50.3 -56.7 -46.7 -42.3 -16.5 19.9 384 182 B L H 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.884 108.9 52.4 -58.5 -40.2 -45.7 -15.5 18.3 385 183 B E T 3< S+ 0 0 84 -4,-2.3 2,-1.0 -5,-0.2 -1,-0.3 0.428 87.8 92.6 -80.7 3.2 -43.9 -13.7 15.5 386 184 B T < + 0 0 10 -3,-1.5 -1,-0.1 -4,-0.3 6,-0.1 -0.764 48.7 174.2 -99.7 91.1 -41.8 -16.7 14.7 387 185 B A + 0 0 31 -2,-1.0 2,-0.2 4,-0.1 -1,-0.2 0.902 54.7 87.9 -58.8 -43.3 -43.7 -18.5 12.0 388 186 B D > - 0 0 74 1,-0.1 4,-2.2 -273,-0.1 5,-0.1 -0.405 69.9-149.2 -70.8 126.6 -41.0 -21.1 11.4 389 187 B V H > S+ 0 0 10 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 93.8 47.1 -66.5 -44.4 -41.4 -24.1 13.7 390 188 B K H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.937 113.7 49.4 -59.7 -47.0 -37.8 -25.1 14.1 391 189 B D H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.5 51.1 -56.5 -42.0 -36.8 -21.5 14.7 392 190 B R H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 109.3 48.0 -64.0 -51.1 -39.5 -21.3 17.3 393 191 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.925 112.2 50.7 -54.6 -46.7 -38.4 -24.5 19.1 394 192 B N H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.938 109.4 49.7 -57.5 -47.3 -34.8 -23.2 19.2 395 193 B K H X S+ 0 0 65 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 112.1 48.5 -59.1 -42.8 -35.8 -19.8 20.6 396 194 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.931 109.9 50.6 -67.9 -44.9 -37.8 -21.4 23.3 397 195 B I H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.948 111.7 49.3 -51.4 -50.0 -35.0 -23.9 24.3 398 196 B D H X S+ 0 0 89 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 108.9 52.5 -59.6 -41.6 -32.7 -20.9 24.5 399 197 B F H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.956 107.0 52.7 -59.0 -46.5 -35.1 -19.0 26.6 400 198 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.929 107.8 52.1 -53.9 -45.6 -35.3 -21.9 29.0 401 199 B N H X S+ 0 0 42 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.912 109.1 48.7 -58.7 -47.1 -31.5 -21.9 29.2 402 200 B N H X S+ 0 0 92 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.954 111.6 49.4 -54.2 -51.7 -31.4 -18.2 30.1 403 201 B E H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.890 112.4 49.3 -59.2 -37.4 -34.1 -18.8 32.8 404 202 B K H X S+ 0 0 26 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.934 112.8 46.0 -64.3 -46.1 -32.1 -21.7 34.1 405 203 B E H X S+ 0 0 89 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.883 109.7 54.2 -67.8 -39.9 -28.8 -19.6 34.2 406 204 B V H X S+ 0 0 66 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.916 106.5 52.7 -56.6 -47.4 -30.6 -16.7 35.8 407 205 B L H < S+ 0 0 30 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 110.5 47.1 -53.0 -47.4 -31.9 -19.0 38.6 408 206 B E H < S+ 0 0 80 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.787 108.4 55.9 -70.2 -28.2 -28.3 -20.2 39.3 409 207 B I H < S+ 0 0 131 -4,-1.9 2,-2.0 1,-0.3 -1,-0.2 0.925 99.8 59.9 -66.2 -45.9 -27.0 -16.7 39.3 410 208 B E < 0 0 135 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.292 360.0 360.0 -77.3 53.4 -29.5 -15.7 42.0 411 209 B K 0 0 141 -2,-2.0 -3,-0.1 -3,-0.5 -269,-0.0 -0.768 360.0 360.0-157.9 360.0 -27.9 -18.4 44.3