==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-OCT-04 1XN4 . COMPND 2 MOLECULE: RIBONUCLEASE MAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR J.CARUTHERS,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 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 . 18 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 26.7 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+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 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.3 107.0 14.5 15.9 2 3 A R + 0 0 202 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.536 360.0 26.1-125.0 -18.2 107.2 12.8 19.3 3 4 A L S S- 0 0 94 163,-0.1 -1,-0.2 124,-0.0 160,-0.0 -0.912 99.2 -66.0-140.0 169.5 107.3 15.8 21.8 4 5 A M - 0 0 0 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.347 54.9-128.2 -56.1 127.3 106.2 19.4 22.0 5 6 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 161,-0.0 -0.316 41.2 -71.9 -72.4 163.2 108.0 21.6 19.5 6 7 A H > - 0 0 48 1,-0.1 3,-2.6 2,-0.1 162,-0.2 -0.297 50.1-111.8 -55.2 138.1 109.8 24.8 20.5 7 8 A Y T 3 S+ 0 0 22 160,-1.5 5,-0.2 1,-0.3 -1,-0.1 0.672 114.9 63.4 -51.2 -22.9 107.2 27.5 21.3 8 9 A S T 3 S+ 0 0 74 159,-0.3 2,-0.6 3,-0.1 -1,-0.3 0.772 87.4 82.0 -72.5 -28.0 108.3 29.5 18.2 9 10 A K S < S- 0 0 145 -3,-2.6 -1,-0.0 2,-0.0 41,-0.0 -0.719 105.1 -35.2 -86.1 119.3 107.1 26.7 15.9 10 11 A G S S- 0 0 35 -2,-0.6 2,-0.4 89,-0.1 88,-0.1 -0.162 88.4 -60.2 69.2-163.1 103.4 26.7 15.1 11 12 A K - 0 0 65 86,-0.2 89,-2.3 2,-0.0 88,-1.7 -0.972 40.4-163.5-124.6 137.8 100.7 27.7 17.6 12 13 A T E -ab 51 100A 2 38,-2.6 40,-1.2 -2,-0.4 2,-0.5 -0.919 4.7-158.4-116.2 144.1 99.8 26.1 20.9 13 14 A A E -ab 52 101A 2 87,-1.4 89,-2.0 -2,-0.4 2,-0.2 -0.962 7.7-147.1-128.5 116.7 96.5 26.6 22.8 14 15 A F E -ab 53 102A 0 38,-3.0 40,-2.2 -2,-0.5 2,-0.4 -0.530 12.6-158.1 -77.1 145.9 96.1 26.0 26.5 15 16 A L E -ab 54 103A 13 87,-2.7 89,-2.3 -2,-0.2 2,-0.8 -0.858 10.9-169.7-136.7 98.0 92.7 24.8 27.7 16 17 A C E -ab 55 104A 0 38,-2.6 40,-2.4 -2,-0.4 2,-0.5 -0.789 23.8-158.7 -85.1 109.1 91.5 25.2 31.3 17 18 A V E -ab 56 105A 0 87,-1.9 89,-0.8 -2,-0.8 40,-0.1 -0.834 49.3 -37.2-107.2 121.3 88.4 23.0 31.5 18 19 A D + 0 0 3 38,-1.1 2,-2.3 -2,-0.5 -1,-0.2 0.627 67.0 161.1 51.7 27.3 85.5 23.2 34.0 19 20 A L + 0 0 0 37,-0.3 48,-1.9 14,-0.1 -1,-0.2 -0.506 30.4 153.6 -75.1 76.3 87.6 24.1 37.0 20 21 A Q B >> -G 66 0B 2 -2,-2.3 3,-1.0 46,-0.2 4,-0.6 -0.509 59.7-101.9-110.7 172.0 84.5 25.5 38.8 21 22 A E G >4 S+ 0 0 117 44,-1.2 3,-1.1 1,-0.2 4,-0.5 0.862 112.1 63.4 -60.6 -42.7 83.3 25.9 42.4 22 23 A A G 34 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.686 108.1 43.1 -59.4 -21.2 81.0 22.9 42.5 23 24 A F G X> S+ 0 0 47 -3,-1.0 4,-1.1 -5,-0.1 3,-0.8 0.579 85.9 94.7-101.3 -13.4 84.0 20.6 42.0 24 25 A S T << S+ 0 0 29 -3,-1.1 6,-0.2 -4,-0.6 -2,-0.1 0.814 97.7 28.6 -50.2 -42.6 86.4 22.2 44.5 25 26 A K T 34 S+ 0 0 192 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.492 113.1 64.8-100.6 -6.4 85.6 20.0 47.5 26 27 A R T <4 S+ 0 0 158 -3,-0.8 2,-0.4 -4,-0.1 -2,-0.2 0.537 96.0 65.0 -94.3 -9.3 84.6 16.9 45.5 27 28 A I < - 0 0 11 -4,-1.1 3,-0.4 1,-0.1 4,-0.2 -0.917 66.9-151.5-115.8 142.3 88.1 16.3 44.0 28 29 A E S S+ 0 0 158 107,-0.6 3,-0.5 -2,-0.4 -1,-0.1 0.939 97.2 37.0 -75.6 -50.7 91.2 15.5 46.0 29 30 A N S > S+ 0 0 44 106,-0.3 4,-1.2 1,-0.2 3,-0.3 -0.000 78.4 119.0 -95.3 29.7 93.9 17.0 43.7 30 31 A F H > S+ 0 0 14 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.857 73.0 56.5 -59.4 -38.3 91.7 20.0 42.8 31 32 A A H > S+ 0 0 38 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.838 105.5 50.3 -64.0 -36.4 94.4 22.4 44.3 32 33 A N H > S+ 0 0 6 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.737 107.4 54.0 -73.8 -25.0 97.1 20.9 42.0 33 34 A C H X S+ 0 0 1 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.798 110.1 48.0 -73.7 -31.9 94.8 21.4 39.0 34 35 A V H X S+ 0 0 21 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.871 109.7 52.7 -72.2 -41.1 94.5 25.1 40.1 35 36 A F H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 111.6 44.6 -59.8 -48.5 98.3 25.3 40.5 36 37 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.871 108.9 58.0 -65.3 -38.8 99.0 24.0 37.0 37 38 A A H X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.881 111.2 42.1 -57.6 -41.6 96.2 26.3 35.6 38 39 A N H X S+ 0 0 32 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.851 110.9 56.6 -71.9 -38.0 98.1 29.3 37.1 39 40 A R H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.904 111.6 42.2 -59.2 -44.6 101.5 27.8 35.9 40 41 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.762 110.8 58.3 -73.8 -27.3 100.2 27.7 32.3 41 42 A A H X S+ 0 0 0 -4,-1.1 4,-1.3 -5,-0.2 -2,-0.2 0.908 109.5 42.1 -68.0 -44.9 98.6 31.1 32.7 42 43 A R H X S+ 0 0 48 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.870 113.9 53.0 -69.2 -39.0 101.9 32.8 33.6 43 44 A L H X S+ 0 0 10 -4,-1.7 4,-1.6 -5,-0.2 3,-0.4 0.897 105.4 55.0 -59.8 -43.8 103.7 30.9 30.9 44 45 A H H < S+ 0 0 4 -4,-2.1 7,-0.2 1,-0.2 -1,-0.2 0.865 105.6 52.6 -56.4 -40.3 101.1 32.1 28.3 45 46 A E H < S+ 0 0 90 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 104.4 56.4 -67.3 -30.7 101.9 35.7 29.3 46 47 A L H < S+ 0 0 41 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.878 124.7 20.4 -71.7 -40.6 105.6 35.1 28.7 47 48 A V S X S+ 0 0 7 -4,-1.6 4,-0.6 1,-0.1 3,-0.3 -0.696 73.4 152.9-126.7 78.7 105.1 34.0 25.1 48 49 A P T 4 + 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.579 62.6 72.1 -83.6 -9.8 101.6 35.3 24.1 49 50 A E T 4 S+ 0 0 129 1,-0.2 -4,-0.0 -3,-0.1 -5,-0.0 0.848 111.7 25.5 -72.2 -36.4 102.4 35.5 20.4 50 51 A N T 4 S+ 0 0 39 -3,-0.3 -38,-2.6 -6,-0.1 2,-0.3 0.466 116.1 71.5-107.3 -6.3 102.4 31.7 19.9 51 52 A T E < -a 12 0A 5 -4,-0.6 2,-0.3 -7,-0.2 -38,-0.2 -0.835 54.3-165.3-117.4 151.5 100.0 30.7 22.7 52 53 A K E -a 13 0A 43 -40,-1.2 -38,-3.0 -2,-0.3 2,-0.5 -0.984 11.9-145.5-130.4 144.1 96.3 31.1 23.4 53 54 A Y E -ac 14 76A 0 22,-0.5 24,-3.1 -2,-0.3 2,-0.4 -0.949 17.9-177.2-114.7 119.4 94.5 30.6 26.7 54 55 A I E -ac 15 77A 4 -40,-2.2 -38,-2.6 -2,-0.5 2,-0.4 -0.960 6.3-167.5-119.6 129.1 90.9 29.2 26.7 55 56 A V E -ac 16 78A 2 22,-1.5 24,-2.4 -2,-0.4 2,-0.4 -0.963 8.4-155.2-116.6 129.4 88.7 28.7 29.7 56 57 A T E -ac 17 79A 1 -40,-2.4 -38,-1.1 -2,-0.4 2,-0.5 -0.861 4.2-163.4-107.5 138.3 85.5 26.6 29.6 57 58 A E E - c 0 80A 8 22,-1.9 24,-2.7 -2,-0.4 2,-0.6 -0.979 8.7-152.6-120.8 121.4 82.5 26.9 31.9 58 59 A H E S- c 0 81A 39 -2,-0.5 24,-0.2 1,-0.2 22,-0.0 -0.841 73.7 -27.9 -99.1 117.3 80.0 24.1 32.1 59 60 A Y S S- 0 0 142 22,-2.0 -1,-0.2 -2,-0.6 3,-0.1 0.940 76.9-171.3 41.6 70.9 76.4 25.1 33.0 60 61 A P S > S+ 0 0 24 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.950 73.4 51.9 -58.8 -62.7 77.5 28.2 34.9 61 62 A K T 4 S+ 0 0 199 1,-0.2 2,-1.1 2,-0.2 3,-0.2 0.828 105.3 62.1 -43.4 -44.3 74.3 29.4 36.6 62 63 A G T 4 S- 0 0 32 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 -0.722 136.7 -41.4 -92.0 90.8 73.7 25.9 38.0 63 64 A L T 4 S+ 0 0 140 -2,-1.1 -1,-0.2 1,-0.1 2,-0.2 0.982 108.7 105.5 54.2 72.7 76.6 25.1 40.3 64 65 A G < + 0 0 12 -4,-0.6 2,-0.2 -3,-0.2 -1,-0.1 -0.709 21.6 136.5 178.9 125.8 79.5 26.5 38.3 65 66 A R - 0 0 168 -2,-0.2 -44,-1.2 -47,-0.1 -8,-0.0 -0.773 58.9 -92.1-171.4 128.5 81.9 29.5 38.1 66 67 A I B -G 20 0B 28 -2,-0.2 -46,-0.2 -46,-0.2 -9,-0.1 -0.165 54.6-102.4 -48.0 127.0 85.7 29.6 37.5 67 68 A V > - 0 0 18 -48,-1.9 3,-2.2 1,-0.1 -1,-0.1 -0.332 19.5-135.3 -61.1 127.0 87.5 29.4 40.9 68 69 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.578 98.1 78.1 -59.5 -12.7 88.8 32.8 42.1 69 70 A G T 3 S+ 0 0 44 2,-0.1 2,-0.6 1,-0.0 -2,-0.1 0.692 82.4 76.1 -68.4 -20.7 92.1 31.0 43.0 70 71 A I S < S- 0 0 5 -3,-2.2 2,-0.9 -33,-0.0 -35,-0.1 -0.853 72.6-153.0 -97.2 118.5 93.0 31.1 39.3 71 72 A T - 0 0 86 -2,-0.6 -2,-0.1 0, 0.0 -4,-0.0 -0.811 19.2-150.1 -91.7 102.5 94.2 34.4 38.0 72 73 A L - 0 0 53 -2,-0.9 -34,-0.1 1,-0.1 4,-0.0 -0.411 17.9-106.6 -73.7 145.1 93.3 34.4 34.2 73 74 A P > - 0 0 7 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.266 26.4-116.2 -63.4 158.9 95.4 36.3 31.7 74 75 A Q T 3 S+ 0 0 205 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.695 116.2 54.4 -70.8 -20.1 93.9 39.4 30.1 75 76 A T T 3 S+ 0 0 85 2,-0.1 -22,-0.5 0, 0.0 2,-0.3 0.038 81.1 134.3-100.9 23.8 93.9 37.7 26.7 76 77 A A E < -c 53 0A 20 -3,-1.2 2,-1.0 -24,-0.1 -22,-0.2 -0.593 50.1-144.3 -81.0 132.8 92.0 34.7 27.9 77 78 A H E -c 54 0A 82 -24,-3.1 -22,-1.5 -2,-0.3 2,-0.6 -0.800 21.9-173.8 -97.8 93.3 89.1 33.4 25.8 78 79 A L E +c 55 0A 101 -2,-1.0 2,-0.3 -24,-0.2 -22,-0.2 -0.803 6.4 175.7 -94.2 121.0 86.4 32.2 28.3 79 80 A I E -c 56 0A 18 -24,-2.4 -22,-1.9 -2,-0.6 2,-0.4 -0.848 22.1-136.0-120.6 159.6 83.4 30.5 26.8 80 81 A E E +c 57 0A 107 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.962 29.2 166.9-120.2 132.7 80.3 28.8 28.3 81 82 A K E -c 58 0A 12 -24,-2.7 -22,-2.0 -2,-0.4 5,-0.1 -0.855 38.0-154.7-138.7 169.4 78.9 25.4 27.1 82 83 A T S S+ 0 0 108 -2,-0.3 2,-0.4 -24,-0.2 -1,-0.1 0.437 71.2 98.0-121.0 -12.7 76.5 22.6 27.9 83 84 A R S S- 0 0 142 1,-0.1 -2,-0.1 2,-0.1 5,-0.0 -0.667 71.6-139.1 -79.4 131.2 78.3 19.9 25.8 84 85 A F S S+ 0 0 114 -2,-0.4 2,-0.4 2,-0.1 31,-0.2 0.886 89.2 73.1 -58.5 -43.8 80.6 17.7 27.9 85 86 A S S S- 0 0 0 29,-0.2 2,-0.4 2,-0.1 -2,-0.1 -0.611 87.8-133.1 -71.2 128.7 83.3 17.7 25.1 86 87 A C S S+ 0 0 3 25,-0.5 2,-0.7 -2,-0.4 -1,-0.1 0.035 77.0 107.6 -77.7 30.1 84.9 21.2 25.1 87 88 A I + 0 0 9 -2,-0.4 -2,-0.1 27,-0.1 -1,-0.1 -0.852 42.1 151.6-109.3 92.7 84.5 21.3 21.3 88 89 A V >> - 0 0 22 -2,-0.7 4,-1.9 -5,-0.0 3,-1.8 -0.895 61.8 -97.6-118.2 151.1 81.8 23.9 20.6 89 90 A P H 3> S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.736 121.7 58.2 -32.4 -41.5 81.3 26.1 17.5 90 91 A Q H 34 S+ 0 0 114 1,-0.2 4,-0.4 2,-0.2 -3,-0.0 0.875 114.2 33.9 -63.8 -42.0 83.0 29.0 19.4 91 92 A V H <> S+ 0 0 3 -3,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.679 106.6 71.0 -88.0 -20.2 86.3 27.2 20.1 92 93 A E H >< S+ 0 0 88 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.903 104.7 39.9 -60.7 -44.4 86.2 25.2 16.8 93 94 A E G >< S+ 0 0 121 -4,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.675 106.9 65.1 -78.4 -20.2 87.0 28.3 14.8 94 95 A L G 34 S+ 0 0 35 -4,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.630 101.1 51.6 -76.1 -14.5 89.5 29.5 17.4 95 96 A L G << S+ 0 0 13 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.034 73.5 109.0-110.1 24.0 91.7 26.5 16.6 96 97 A E S < S+ 0 0 159 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.667 94.3 26.6 -72.5 -18.0 91.8 27.1 12.8 97 98 A D S S+ 0 0 74 -3,-0.3 2,-0.4 -4,-0.1 -1,-0.2 0.295 100.2 103.4-125.3 3.6 95.4 28.1 13.0 98 99 A V - 0 0 0 1,-0.1 -86,-0.2 -3,-0.1 3,-0.1 -0.779 40.0-179.6 -97.6 132.3 96.5 26.2 16.1 99 100 A D + 0 0 86 -88,-1.7 26,-2.1 -2,-0.4 2,-0.3 0.665 66.5 43.7-102.6 -23.1 98.5 23.0 15.7 100 101 A N E -bd 12 125A 7 -89,-2.3 -87,-1.4 24,-0.2 2,-0.4 -0.887 60.4-163.3-126.4 155.8 98.9 22.0 19.4 101 102 A A E -bd 13 126A 3 24,-2.4 26,-2.7 -2,-0.3 2,-0.8 -0.979 10.7-158.9-144.1 127.7 96.7 21.8 22.5 102 103 A V E -bd 14 127A 0 -89,-2.0 -87,-2.7 -2,-0.4 2,-0.6 -0.880 19.6-169.6-104.5 100.1 97.4 21.6 26.2 103 104 A V E +b 15 0A 0 -2,-0.8 2,-0.3 24,-0.6 -87,-0.2 -0.820 16.1 157.7 -96.3 122.2 94.2 20.2 27.8 104 105 A F E +b 16 0A 0 -89,-2.3 -87,-1.9 -2,-0.6 2,-0.3 -0.993 27.2 61.1-146.6 134.2 94.1 20.3 31.6 105 106 A G E +be 17 133A 0 27,-0.8 29,-1.1 -2,-0.3 2,-0.3 -0.824 68.1 0.1 162.6-118.1 91.3 20.3 34.2 106 107 A I S S+ 0 0 2 -89,-0.8 29,-0.1 1,-0.3 -2,-0.1 -0.926 91.2 26.3-173.3 137.5 88.4 18.0 35.2 107 108 A E > - 0 0 14 27,-0.4 5,-2.0 -2,-0.3 6,-0.6 0.541 50.8-166.9 -99.0 147.4 86.9 15.4 34.9 108 109 A G T 5S+ 0 0 0 26,-2.5 5,-0.4 1,-0.2 27,-0.1 0.851 93.1 35.9 -55.9 -41.2 89.4 13.0 33.4 109 110 A H T 5S+ 0 0 59 25,-0.2 -1,-0.2 3,-0.1 26,-0.1 0.642 129.0 31.0 -88.7 -18.0 86.8 10.4 32.5 110 111 A A T >5S+ 0 0 24 -3,-0.2 4,-1.8 3,-0.1 5,-0.2 0.744 127.8 9.4-104.5 -94.6 84.1 12.9 31.5 111 112 A C H >5S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -25,-0.5 0.922 130.3 47.8 -61.1 -51.1 84.8 16.4 30.0 112 113 A I H > S+ 0 0 36 -6,-0.6 4,-1.4 -5,-0.4 -1,-0.2 0.869 113.8 41.7 -57.8 -45.1 88.1 12.4 27.8 114 115 A Q H X S+ 0 0 87 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.720 113.8 54.9 -77.6 -23.0 85.5 13.6 25.2 115 116 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.931 109.5 44.4 -72.5 -49.5 87.5 16.8 24.6 116 117 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.833 110.9 54.7 -67.2 -34.2 90.8 15.1 23.7 117 118 A A H X S+ 0 0 33 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.877 111.2 45.0 -65.6 -40.2 89.1 12.5 21.5 118 119 A D H X S+ 0 0 46 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.863 111.2 53.5 -68.6 -39.3 87.4 15.3 19.5 119 120 A L H <>S+ 0 0 3 -4,-2.2 5,-1.7 1,-0.2 -2,-0.2 0.785 105.9 53.8 -65.1 -30.2 90.8 17.2 19.4 120 121 A L H ><5S+ 0 0 36 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.783 103.8 55.6 -73.7 -30.1 92.4 14.1 17.9 121 122 A D H 3<5S+ 0 0 130 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.730 102.1 57.9 -70.7 -24.3 89.8 13.9 15.2 122 123 A M T 3<5S- 0 0 65 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.265 117.9-113.5 -89.8 10.3 90.8 17.5 14.3 123 124 A N T < 5 + 0 0 137 -3,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.526 67.4 148.7 69.6 9.4 94.4 16.3 13.7 124 125 A K < - 0 0 34 -5,-1.7 2,-0.9 1,-0.1 -1,-0.2 -0.467 52.3-121.8 -78.4 145.1 95.6 18.4 16.7 125 126 A R E -d 100 0A 30 -26,-2.1 -24,-2.4 -2,-0.2 2,-0.4 -0.768 32.0-160.0 -88.1 103.8 98.5 17.3 18.8 126 127 A V E -df 101 155A 0 28,-1.8 30,-1.7 -2,-0.9 2,-0.4 -0.723 11.2-173.6 -92.1 132.7 97.2 17.0 22.4 127 128 A F E -df 102 156A 2 -26,-2.7 -24,-0.6 -2,-0.4 30,-0.2 -0.986 7.3-164.6-127.6 120.7 99.5 17.1 25.4 128 129 A L E - f 0 157A 0 28,-3.2 30,-1.8 -2,-0.4 2,-1.0 -0.907 13.8-146.1-115.2 121.3 98.1 16.4 28.8 129 130 A P E > - f 0 158A 0 0, 0.0 3,-2.1 0, 0.0 30,-0.3 -0.759 2.3-162.9 -85.9 103.0 99.8 17.2 32.1 130 131 A K G > S+ 0 0 127 28,-2.8 3,-1.3 -2,-1.0 29,-0.2 0.795 89.1 75.3 -47.3 -30.3 98.7 14.5 34.6 131 132 A D G 3 S+ 0 0 9 27,-0.5 -1,-0.3 1,-0.3 -95,-0.2 0.863 102.5 34.3 -47.5 -46.3 100.0 17.1 37.0 132 133 A G G < S+ 0 0 0 -3,-2.1 -27,-0.8 -96,-0.1 2,-0.3 -0.367 100.2 96.2-114.0 51.9 96.8 19.2 36.5 133 134 A L B < +e 105 0A 0 -3,-1.3 2,-0.2 -29,-0.2 -27,-0.2 -0.998 43.3 158.6-140.4 141.1 94.1 16.5 36.0 134 135 A G - 0 0 1 -29,-1.1 -26,-2.5 -2,-0.3 -27,-0.4 -0.833 20.5-158.7-147.5-177.9 91.6 14.9 38.4 135 136 A S - 0 0 12 -2,-0.2 -107,-0.6 -28,-0.2 -106,-0.3 -0.957 33.6-117.0-162.6 159.9 88.4 13.1 39.1 136 137 A Q S S+ 0 0 63 -2,-0.3 2,-0.4 -109,-0.2 -1,-0.1 0.839 104.3 38.9 -68.8 -35.2 85.9 12.5 42.0 137 138 A K S > S- 0 0 137 1,-0.1 4,-1.5 -3,-0.1 -1,-0.1 -0.932 72.6-141.5-120.2 144.6 86.7 8.8 42.0 138 139 A K H > S+ 0 0 151 -2,-0.4 4,-3.4 2,-0.2 5,-0.2 0.885 102.4 51.6 -68.2 -42.7 90.1 7.1 41.5 139 140 A T H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 109.9 49.7 -64.7 -40.0 88.8 4.1 39.4 140 141 A D H > S+ 0 0 73 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.878 116.6 43.4 -63.4 -39.6 87.0 6.5 37.0 141 142 A F H >X S+ 0 0 33 -4,-1.5 4,-2.1 2,-0.2 3,-0.6 0.947 112.1 50.2 -71.0 -54.2 90.2 8.5 36.7 142 143 A K H 3X S+ 0 0 125 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.921 109.4 51.1 -51.7 -52.5 92.7 5.6 36.3 143 144 A A H 3X S+ 0 0 66 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.768 111.0 50.1 -59.0 -29.9 90.6 3.9 33.6 144 145 A A H < S+ 0 0 73 -4,-0.7 3,-1.9 -5,-0.2 -2,-0.2 0.943 109.2 46.5 -74.3 -52.6 93.0 4.7 27.8 148 149 A M H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.742 103.3 66.4 -64.7 -24.2 94.3 8.1 26.6 149 150 A G T 3< S+ 0 0 45 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.487 99.1 52.5 -74.0 -5.0 97.8 6.7 27.0 150 151 A S T < S+ 0 0 81 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.266 85.9 86.2-108.9 6.4 97.0 4.3 24.1 151 152 A W S X S+ 0 0 69 -3,-1.3 3,-0.7 4,-0.1 4,-0.2 0.030 80.0 171.7 -95.8 25.6 95.9 7.1 21.8 152 153 A S T 3 + 0 0 78 1,-0.3 4,-0.1 2,-0.2 -3,-0.0 -0.231 37.5 36.2 -68.4 164.2 99.4 7.7 20.6 153 154 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.971 126.5 37.7 -92.2 9.6 101.3 9.0 18.7 154 155 A N S < S+ 0 0 65 -3,-0.7 -28,-1.8 1,-0.1 2,-0.4 0.405 111.8 61.7 -99.8 1.2 99.2 12.2 18.7 155 156 A C E +f 126 0A 1 -4,-0.2 2,-0.4 -30,-0.2 -28,-0.2 -0.993 61.2 175.9-131.4 126.2 98.2 12.1 22.4 156 157 A E E -f 127 0A 30 -30,-1.7 -28,-3.2 -2,-0.4 2,-0.6 -0.994 17.1-157.0-135.1 134.8 100.8 12.3 25.3 157 158 A I E +f 128 0A 47 -2,-0.4 2,-0.1 -30,-0.2 -30,-0.0 -0.917 36.9 130.9-115.3 106.2 100.4 12.4 29.1 158 159 A T E -f 129 0A 38 -30,-1.8 -28,-2.8 -2,-0.6 -27,-0.5 -0.154 53.7 -76.3-120.8-141.9 103.3 13.9 31.0 159 160 A T > - 0 0 57 -30,-0.3 4,-2.4 -29,-0.2 5,-0.2 -0.877 33.5-109.1-127.4 161.8 103.6 16.5 33.8 160 161 A S H > S+ 0 0 0 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.854 117.9 52.7 -55.7 -40.0 103.4 20.3 33.9 161 162 A E H > S+ 0 0 93 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 110.7 45.2 -62.8 -49.7 107.1 20.5 34.6 162 163 A S H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.901 109.3 57.0 -60.9 -44.1 108.2 18.3 31.6 163 164 A I H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.887 106.2 48.5 -56.2 -46.1 105.8 20.2 29.3 164 165 A L H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.884 112.3 49.5 -62.0 -40.5 107.4 23.6 30.0 165 166 A L H < S+ 0 0 76 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.745 104.8 59.1 -71.5 -26.8 110.8 22.1 29.4 166 167 A Q H < S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 105.3 48.7 -66.8 -40.8 109.7 20.6 26.1 167 168 A M H < S+ 0 0 5 -4,-1.4 -160,-1.5 1,-0.2 2,-0.8 0.773 110.4 54.4 -71.8 -29.2 108.8 24.0 24.7 168 169 A T < + 0 0 8 -4,-1.1 -1,-0.2 -162,-0.2 5,-0.1 -0.813 67.9 178.9-107.7 88.7 112.1 25.4 25.8 169 170 A K + 0 0 131 -2,-0.8 2,-0.3 -3,-0.2 -1,-0.2 0.799 66.3 44.3 -60.6 -33.2 114.7 23.1 24.2 170 171 A D > - 0 0 101 1,-0.1 3,-0.8 0, 0.0 6,-0.1 -0.850 67.3-143.2-116.7 149.6 117.7 25.0 25.5 171 172 A A T 3 S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.2 9,-0.1 0.623 104.5 63.8 -80.9 -15.8 118.5 26.5 28.9 172 173 A M T 3 S+ 0 0 164 4,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.138 76.3 136.6 -90.8 18.0 120.2 29.4 27.1 173 174 A D X> - 0 0 21 -3,-0.8 3,-1.1 1,-0.1 4,-0.6 -0.451 67.0-122.3 -64.1 134.4 116.7 30.3 25.6 174 175 A P T 34 S+ 0 0 118 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.744 114.0 39.3 -48.8 -28.2 116.0 34.1 25.7 175 176 A N T >> S+ 0 0 34 1,-0.1 4,-2.0 2,-0.1 3,-1.5 0.576 86.9 94.0-100.4 -13.3 112.9 33.3 27.8 176 177 A F H <> S+ 0 0 59 -3,-1.1 4,-3.7 1,-0.3 5,-0.3 0.843 79.2 62.6 -47.7 -43.5 114.3 30.5 30.0 177 178 A K H 3< S+ 0 0 178 -4,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.862 111.6 37.4 -49.0 -42.9 115.1 33.1 32.7 178 179 A K H <4 S+ 0 0 119 -3,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.792 117.8 50.6 -82.0 -32.2 111.3 33.9 33.0 179 180 A I H >X S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.2 4,-1.0 0.902 101.6 60.3 -71.8 -43.2 110.2 30.3 32.5 180 181 A S H 3X S+ 0 0 29 -4,-3.7 4,-0.8 1,-0.3 -1,-0.2 0.691 93.5 68.5 -59.8 -21.3 112.5 28.9 35.2 181 182 A K H 34 S+ 0 0 118 -4,-0.3 4,-0.3 -5,-0.3 -1,-0.3 0.818 98.8 50.1 -64.2 -33.5 110.7 31.1 37.7 182 183 A L H X4 S+ 0 0 1 -3,-1.8 3,-1.1 -4,-0.4 -2,-0.2 0.851 102.8 57.6 -76.2 -37.9 107.6 29.0 37.3 183 184 A L H 3< S+ 0 0 36 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.742 98.5 62.5 -65.4 -25.2 109.3 25.6 37.8 184 185 A K T 3< S+ 0 0 163 -4,-0.8 -1,-0.2 -3,-0.1 -2,-0.2 0.658 80.6 105.5 -75.6 -18.2 110.5 26.8 41.3 185 186 A E S < S- 0 0 80 -3,-1.1 -3,-0.0 -4,-0.3 -146,-0.0 -0.389 71.7-127.8 -66.1 139.6 106.9 27.2 42.5 186 187 A E - 0 0 169 -2,-0.1 -1,-0.1 4,-0.0 -2,-0.1 -0.818 16.1-131.2 -97.0 119.5 105.7 24.5 45.0 187 188 A P - 0 0 19 0, 0.0 -155,-0.1 0, 0.0 4,-0.1 -0.390 21.8-119.1 -63.1 142.7 102.4 22.7 44.2 188 189 A P S S+ 0 0 78 0, 0.0 -156,-0.1 0, 0.0 -159,-0.0 0.900 103.9 45.4 -50.1 -52.0 99.9 22.5 47.2 189 190 A I S S- 0 0 88 -160,-0.1 -160,-0.0 1,-0.0 0, 0.0 -0.867 102.4-109.4 -97.2 125.0 99.9 18.7 47.2 190 191 A P 0 0 112 0, 0.0 -158,-0.0 0, 0.0 -1,-0.0 -0.204 360.0 360.0 -52.7 138.7 103.4 17.1 46.9 191 192 A L 0 0 152 -4,-0.1 -2,-0.0 0, 0.0 -60,-0.0 0.100 360.0 360.0 -91.2 360.0 104.1 15.4 43.5