==== 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 OXIDOREDUCTASE 17-JAN-03 1NP3 . COMPND 2 MOLECULE: KETOL-ACID REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.J.AHN,S.J.EOM,H.-J.YOON,B.I.LEE,H.CHO,S.W.SUH . 1308 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 81.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.4 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 . 81 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 595 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 67 5.1 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 7 4 5 2 9 0 2 16 6 0 8 4 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 16 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 . 0 4 0 0 0 4 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 . 1 0 0 0 0 0 1 3 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 1 A M 0 0 77 0, 0.0 2,-0.6 0, 0.0 180,-0.1 0.000 360.0 360.0 360.0 145.6 56.2 -10.7 -34.6 2 2 A R - 0 0 160 178,-0.4 178,-2.3 2,-0.0 2,-0.4 -0.881 360.0-175.4-103.5 117.3 57.9 -14.1 -34.0 3 3 A V E -A 179 0A 32 -2,-0.6 2,-0.3 176,-0.2 176,-0.2 -0.898 7.3-163.4-116.4 141.7 56.5 -16.1 -31.1 4 4 A F E -A 178 0A 20 174,-2.4 174,-2.4 -2,-0.4 2,-0.2 -0.857 6.1-168.4-119.2 155.9 57.7 -19.4 -29.7 5 5 A Y >> - 0 0 100 -2,-0.3 3,-2.6 172,-0.2 4,-0.6 -0.759 46.9 -79.2-133.3 179.3 56.0 -22.0 -27.5 6 6 A D G >4 S+ 0 0 65 168,-2.3 3,-1.3 1,-0.3 5,-0.2 0.832 126.5 62.8 -49.5 -34.8 56.8 -25.0 -25.3 7 7 A K G 34 S+ 0 0 204 167,-0.3 -1,-0.3 1,-0.3 167,-0.0 0.714 103.4 48.5 -64.7 -21.1 56.9 -27.0 -28.6 8 8 A D G <4 S+ 0 0 85 -3,-2.6 -1,-0.3 166,-0.1 2,-0.2 0.471 105.2 75.0 -97.0 -4.7 59.8 -24.9 -29.8 9 9 A C << - 0 0 23 -3,-1.3 2,-0.4 -4,-0.6 157,-0.1 -0.673 64.6-147.0-109.6 163.0 61.8 -25.3 -26.5 10 10 A D >> - 0 0 81 152,-0.4 3,-2.0 -2,-0.2 4,-0.5 -0.848 9.5-171.1-129.3 91.8 63.8 -28.0 -24.9 11 11 A L H 3> S+ 0 0 48 -2,-0.4 4,-1.8 1,-0.3 5,-0.2 0.712 79.7 73.7 -55.8 -23.4 63.4 -27.7 -21.1 12 12 A S H 3> S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.804 86.9 64.9 -63.6 -27.4 66.2 -30.3 -20.7 13 13 A I H X4 S+ 0 0 40 -3,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.979 109.0 34.9 -59.1 -57.8 68.7 -27.7 -21.7 14 14 A I H >< S+ 0 0 0 -4,-0.5 3,-1.5 1,-0.2 -1,-0.2 0.790 110.7 64.8 -69.0 -26.5 68.1 -25.5 -18.7 15 15 A Q H 3< S+ 0 0 86 -4,-1.8 26,-0.3 1,-0.3 -1,-0.2 0.772 102.7 49.5 -67.4 -22.9 67.5 -28.5 -16.5 16 16 A G T << S+ 0 0 63 -4,-1.2 2,-0.4 -3,-0.9 -1,-0.3 0.336 100.4 82.5 -96.3 7.5 71.1 -29.5 -17.0 17 17 A K S < S- 0 0 77 -3,-1.5 2,-0.5 -5,-0.1 24,-0.4 -0.934 77.7-128.8-116.2 134.5 72.4 -26.0 -16.2 18 18 A K - 0 0 74 -2,-0.4 56,-3.1 22,-0.1 57,-2.0 -0.692 29.6-154.5 -80.9 122.8 73.0 -24.6 -12.7 19 19 A V E -bc 42 75A 2 22,-2.5 24,-2.1 -2,-0.5 2,-0.5 -0.841 11.0-163.2-106.4 135.1 71.3 -21.3 -12.4 20 20 A A E -bc 43 76A 0 55,-2.9 57,-2.4 -2,-0.4 2,-0.7 -0.961 6.2-158.8-114.4 127.1 72.2 -18.4 -10.0 21 21 A I E -bc 44 77A 0 22,-2.6 24,-2.6 -2,-0.5 2,-0.8 -0.919 3.5-160.1-111.2 109.8 69.7 -15.7 -9.4 22 22 A I E +bc 45 78A 5 55,-2.4 57,-2.6 -2,-0.7 24,-0.1 -0.803 67.1 30.7 -92.6 111.4 71.1 -12.5 -8.1 23 23 A G - 0 0 14 22,-1.1 2,-0.2 -2,-0.8 23,-0.1 0.304 63.9-147.3 110.4 120.2 68.5 -10.4 -6.4 24 24 A Y + 0 0 29 4,-0.1 -1,-0.1 20,-0.1 56,-0.1 -0.443 50.2 125.6-116.8 59.6 65.5 -11.9 -4.6 25 25 A G S > S- 0 0 49 -2,-0.2 4,-1.8 54,-0.2 5,-0.1 0.119 85.7 -65.1 -90.3-149.6 62.7 -9.3 -5.2 26 26 A S H > S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.900 140.4 42.9 -67.7 -40.3 59.3 -10.1 -6.6 27 27 A Q H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.940 110.8 52.9 -70.1 -50.5 60.9 -11.0 -9.9 28 28 A G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 109.4 51.3 -53.2 -40.8 63.8 -13.0 -8.4 29 29 A H H X S+ 0 0 40 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.939 110.5 48.1 -61.8 -49.3 61.3 -15.1 -6.4 30 30 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.938 114.9 44.3 -58.4 -50.6 59.2 -15.8 -9.6 31 31 A H H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.949 116.4 46.4 -60.8 -50.3 62.3 -16.8 -11.6 32 32 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.912 118.1 39.9 -59.5 -48.6 63.8 -19.0 -8.8 33 33 A C H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.886 115.5 50.1 -71.4 -40.0 60.6 -20.8 -7.9 34 34 A N H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.902 114.1 46.5 -64.8 -39.8 59.3 -21.3 -11.4 35 35 A L H <>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.3 -2,-0.2 0.889 111.3 51.5 -68.6 -40.4 62.7 -22.7 -12.4 36 36 A K H ><5S+ 0 0 68 -4,-2.0 3,-3.0 1,-0.2 4,-0.3 0.968 109.1 49.0 -60.8 -53.2 62.9 -24.9 -9.4 37 37 A D H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.2 60.4 -56.7 -25.4 59.5 -26.4 -10.1 38 38 A S T 3<5S- 0 0 14 -4,-0.9 -1,-0.3 132,-0.2 -2,-0.2 0.356 127.5-101.6 -84.4 6.4 60.7 -26.9 -13.6 39 39 A G T < 5S+ 0 0 47 -3,-3.0 2,-0.4 1,-0.2 -3,-0.2 0.861 74.0 144.3 77.8 37.4 63.5 -29.1 -12.3 40 40 A V < - 0 0 6 -5,-1.6 2,-1.0 -4,-0.3 -1,-0.2 -0.905 55.3-121.9-112.0 135.3 66.3 -26.6 -12.4 41 41 A D - 0 0 66 -2,-0.4 -22,-2.5 -24,-0.4 2,-0.4 -0.642 43.9-176.8 -75.3 105.0 69.1 -26.4 -9.8 42 42 A V E -b 19 0A 8 -2,-1.0 20,-0.8 -24,-0.2 2,-0.4 -0.860 18.9-174.6-113.0 142.3 68.7 -22.8 -8.5 43 43 A T E -bd 20 62A 19 -24,-2.1 -22,-2.6 -2,-0.4 2,-0.5 -0.994 17.6-142.5-133.8 124.9 70.8 -20.8 -6.1 44 44 A V E -bd 21 63A 0 18,-3.1 20,-1.7 -2,-0.4 2,-0.8 -0.750 12.1-144.6 -89.6 129.6 69.8 -17.3 -4.9 45 45 A G E +bd 22 64A 4 -24,-2.6 -22,-1.1 -2,-0.5 2,-0.3 -0.838 29.7 166.1 -98.4 110.6 72.7 -14.9 -4.4 46 46 A L - 0 0 16 18,-2.1 20,-0.2 -2,-0.8 3,-0.2 -0.862 35.2 -97.3-123.3 157.6 72.1 -12.5 -1.5 47 47 A R > - 0 0 195 -2,-0.3 3,-0.6 1,-0.2 2,-0.4 0.059 68.7 -50.2 -62.9 176.5 74.2 -10.2 0.6 48 48 A S T 3 S- 0 0 105 1,-0.2 -1,-0.2 5,-0.0 5,-0.0 -0.316 114.0 -35.1 -53.4 106.6 75.8 -10.9 3.9 49 49 A G T 3 S- 0 0 77 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.898 84.6-178.9 37.2 84.3 73.0 -12.2 6.0 50 50 A S X> - 0 0 41 -3,-0.6 3,-1.2 1,-0.1 4,-0.7 -0.762 44.2-113.1-109.8 156.9 70.0 -10.3 4.8 51 51 A A H 3> S+ 0 0 85 -2,-0.3 4,-0.9 1,-0.3 3,-0.3 0.752 119.5 62.4 -57.1 -21.4 66.4 -10.4 5.9 52 52 A T H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.854 84.7 72.8 -72.1 -37.7 65.8 -11.8 2.4 53 53 A V H <> S+ 0 0 29 -3,-1.2 4,-1.9 1,-0.2 5,-0.2 0.860 98.9 47.8 -44.8 -44.7 68.0 -14.8 3.1 54 54 A A H X S+ 0 0 57 -4,-0.7 4,-1.5 -3,-0.3 -1,-0.2 0.949 107.8 53.4 -64.5 -51.3 65.3 -16.3 5.3 55 55 A K H X S+ 0 0 129 -4,-0.9 4,-0.6 1,-0.2 -2,-0.2 0.886 111.2 48.1 -51.3 -44.2 62.4 -15.7 2.9 56 56 A A H ><>S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 5,-1.3 0.979 113.4 42.0 -63.3 -61.1 64.3 -17.5 0.1 57 57 A E H ><5S+ 0 0 111 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.663 103.5 71.1 -63.1 -13.9 65.3 -20.7 1.9 58 58 A A H 3<5S+ 0 0 79 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.773 98.6 48.6 -71.5 -25.3 61.9 -20.6 3.5 59 59 A H T <<5S- 0 0 88 -3,-2.1 -1,-0.3 -4,-0.6 -2,-0.2 0.211 130.1 -98.1 -97.0 13.1 60.6 -21.6 -0.0 60 60 A G T < 5S+ 0 0 55 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.796 77.8 144.0 76.4 28.7 63.2 -24.3 -0.3 61 61 A L < - 0 0 7 -5,-1.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.886 51.0-123.7-105.1 128.3 65.6 -22.2 -2.3 62 62 A K E -d 43 0A 99 -20,-0.8 -18,-3.1 -2,-0.5 2,-0.3 -0.384 33.3-167.9 -65.6 145.9 69.4 -22.6 -1.8 63 63 A V E +d 44 0A 35 -20,-0.2 2,-0.3 -18,-0.1 -18,-0.2 -0.936 16.9 142.0-135.9 157.9 71.1 -19.3 -0.9 64 64 A A E -d 45 0A 29 -20,-1.7 -18,-2.1 -2,-0.3 -21,-0.0 -0.975 53.9 -50.4-176.4 176.8 74.7 -18.0 -0.7 65 65 A D > - 0 0 72 -2,-0.3 4,-3.3 -20,-0.2 5,-0.3 -0.278 54.6-115.1 -59.7 151.9 77.0 -15.1 -1.3 66 66 A V H > S+ 0 0 9 -20,-0.2 4,-3.2 1,-0.2 5,-0.2 0.935 119.4 51.9 -55.9 -44.2 76.8 -13.6 -4.8 67 67 A K H > S+ 0 0 67 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.939 112.1 44.1 -56.4 -51.3 80.3 -14.8 -5.3 68 68 A T H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.927 115.1 48.8 -61.1 -46.5 79.5 -18.4 -4.2 69 69 A A H < S+ 0 0 6 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.7 42.7 -60.5 -43.5 76.3 -18.5 -6.1 70 70 A V H >< S+ 0 0 0 -4,-3.2 3,-2.2 -5,-0.3 28,-0.4 0.913 103.9 64.8 -69.8 -44.2 78.1 -17.2 -9.3 71 71 A A H 3< S+ 0 0 52 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.7 38.0 -49.3 -38.9 81.2 -19.4 -8.9 72 72 A A T 3< S+ 0 0 46 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.3 0.166 98.8 105.2-103.2 21.4 79.2 -22.6 -9.4 73 73 A A < - 0 0 2 -3,-2.2 25,-0.4 1,-0.1 -54,-0.2 -0.730 46.6-169.9-109.3 153.4 76.7 -21.4 -12.1 74 74 A D S S+ 0 0 38 -56,-3.1 28,-3.2 1,-0.3 2,-0.4 0.705 89.8 34.8 -98.7 -34.8 76.3 -21.9 -15.8 75 75 A V E -ce 19 102A 0 -57,-2.0 -55,-2.9 26,-0.2 2,-0.6 -0.985 67.4-167.2-127.5 123.1 73.6 -19.2 -16.1 76 76 A V E -ce 20 103A 0 26,-3.1 28,-3.0 -2,-0.4 2,-0.6 -0.912 5.9-163.9-113.5 105.7 73.6 -16.0 -14.0 77 77 A M E -ce 21 104A 0 -57,-2.4 -55,-2.4 -2,-0.6 2,-0.7 -0.803 9.6-151.9 -91.1 118.7 70.3 -14.1 -14.1 78 78 A I E +ce 22 105A 3 26,-3.1 28,-0.6 -2,-0.6 -55,-0.1 -0.827 27.7 160.9 -97.7 114.2 70.8 -10.5 -12.8 79 79 A L + 0 0 34 -57,-2.6 -51,-0.2 -2,-0.7 -54,-0.2 -0.002 34.9 117.0-119.4 27.2 67.7 -9.0 -11.3 80 80 A T S S- 0 0 26 1,-0.2 5,-0.1 -58,-0.1 -57,-0.0 -0.507 78.7 -71.7 -90.3 163.7 69.2 -6.2 -9.2 81 81 A P >> - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.232 43.3-118.2 -56.6 142.7 68.4 -2.5 -9.9 82 82 A D H >> S+ 0 0 22 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.885 110.0 58.4 -44.7 -54.9 70.0 -1.0 -13.1 83 83 A E H 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.629 110.1 44.2 -56.5 -16.4 72.0 1.6 -11.3 84 84 A F H <> S+ 0 0 105 -3,-1.9 4,-2.3 2,-0.1 -1,-0.3 0.529 89.5 85.2-106.5 -8.9 73.8 -1.1 -9.3 85 85 A Q H S+ 0 0 165 -4,-0.2 4,-3.1 2,-0.2 5,-0.4 0.914 116.2 53.0 -63.1 -48.2 79.5 -2.3 -9.8 88 88 A L H X>S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 5,-1.4 0.927 111.2 47.3 -54.7 -47.7 78.0 -5.7 -8.9 89 89 A Y H X>S+ 0 0 10 -4,-3.0 5,-2.9 3,-0.2 4,-0.6 0.931 116.3 42.6 -61.2 -48.5 79.2 -7.2 -12.2 90 90 A K H <5S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.907 125.1 32.2 -67.0 -42.9 82.7 -5.9 -11.9 91 91 A E H <5S+ 0 0 120 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.803 135.4 12.6 -88.1 -31.0 83.2 -6.6 -8.2 92 92 A E H <5S+ 0 0 57 -4,-2.6 -3,-0.2 -5,-0.4 -22,-0.2 0.640 126.1 36.0-124.4 -16.6 81.2 -9.7 -7.5 93 93 A I T >X4 - 0 0 89 -2,-0.8 3,-1.7 -28,-0.4 -2,-0.1 -0.139 34.6 -80.6 -60.5 155.8 83.4 -19.2 -15.3 99 99 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 23,-0.1 3,-0.1 -0.254 115.6 12.4 -57.9 140.7 84.5 -19.2 -18.9 100 100 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 22,-0.1 0.635 92.7 150.3 66.9 13.1 81.7 -19.6 -21.4 101 101 A A < - 0 0 2 -3,-1.7 22,-1.9 -4,-0.1 2,-0.5 -0.205 47.8-112.4 -70.1 169.3 79.1 -18.9 -18.7 102 102 A T E -ef 75 123A 8 -28,-3.2 -26,-3.1 20,-0.2 2,-0.5 -0.922 21.1-159.3-110.9 127.9 75.7 -17.3 -19.6 103 103 A L E -ef 76 124A 0 20,-3.2 22,-2.5 -2,-0.5 2,-0.3 -0.919 18.5-174.7-104.9 122.8 74.9 -13.8 -18.4 104 104 A A E +ef 77 125A 0 -28,-3.0 -26,-3.1 -2,-0.5 2,-0.3 -0.915 8.9 179.6-123.5 150.7 71.1 -13.2 -18.4 105 105 A F E -ef 78 126A 0 20,-1.7 22,-2.1 -2,-0.3 -26,-0.1 -0.885 31.5-144.7-138.5 168.9 68.9 -10.1 -17.7 106 106 A A S S+ 0 0 25 -28,-0.6 2,-0.3 1,-0.3 43,-0.1 0.391 95.8 32.5-111.6 -6.6 65.2 -9.1 -17.6 107 107 A H - 0 0 24 20,-0.0 -1,-0.3 21,-0.0 3,-0.3 -0.984 69.3-145.3-149.9 140.5 66.1 -5.6 -18.9 108 108 A G > + 0 0 0 -2,-0.3 4,-3.2 75,-0.2 5,-0.3 0.349 64.8 108.2 -93.8 10.0 68.8 -4.4 -21.2 109 109 A F H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 6,-0.3 0.912 80.8 45.7 -51.2 -56.5 69.7 -1.0 -19.8 110 110 A S H 4>S+ 0 0 1 -3,-0.3 5,-2.1 1,-0.2 6,-2.0 0.854 119.4 41.4 -59.9 -36.9 73.1 -1.9 -18.3 111 111 A I H >45S+ 0 0 6 -4,-0.2 3,-1.3 4,-0.2 -1,-0.2 0.922 113.3 53.4 -75.0 -44.7 74.3 -3.8 -21.4 112 112 A H H 3<5S+ 0 0 51 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.808 113.7 42.2 -61.5 -31.9 72.8 -1.3 -23.9 113 113 A Y T 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.017 114.3-105.8-111.6 33.6 74.6 1.7 -22.3 114 114 A N T < 5S+ 0 0 124 -3,-1.3 -3,-0.2 2,-0.2 3,-0.2 0.649 85.7 120.1 60.2 21.0 78.1 0.2 -21.6 115 115 A Q S - 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0 0 66 -2,-0.2 4,-2.5 -31,-0.2 5,-0.3 -0.856 27.0-111.6-131.0 165.7 66.6 -7.3 -29.2 183 183 A F H > S+ 0 0 7 -2,-0.3 4,-2.4 -31,-0.2 5,-0.2 0.925 119.5 52.4 -62.7 -40.4 68.4 -5.7 -26.3 184 184 A K H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.938 113.8 40.0 -59.3 -51.6 68.2 -2.4 -28.3 185 185 A D H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.874 116.0 49.1 -70.4 -37.7 64.4 -2.6 -28.9 186 186 A E H X S+ 0 0 5 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.948 116.1 44.8 -65.2 -46.4 63.5 -3.9 -25.4 187 187 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.944 116.8 41.9 -62.8 -52.3 65.6 -1.2 -23.7 188 188 A E H X S+ 0 0 5 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.869 116.6 46.5 -67.7 -38.5 64.6 1.8 -25.8 189 189 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.866 112.8 51.8 -72.0 -34.1 60.8 1.0 -26.0 190 190 A D H X S+ 0 0 23 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.947 113.4 43.0 -65.0 -49.6 60.8 0.3 -22.3 191 191 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.923 116.7 48.2 -62.6 -45.2 62.4 3.6 -21.4 192 192 A F H X>S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.2 5,-0.5 0.928 109.7 52.6 -62.3 -46.1 60.3 5.5 -23.9 193 193 A G H X>S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-1.9 0.943 112.2 42.3 -56.5 -52.6 57.1 3.9 -22.7 194 194 A E H <>S+ 0 0 16 -4,-2.1 6,-2.3 4,-0.2 5,-2.1 0.838 120.5 44.6 -66.4 -30.8 57.5 4.8 -19.0 195 195 A Q H <5S+ 0 0 0 -4,-1.8 6,-0.8 -5,-0.2 -2,-0.2 0.968 122.6 30.6 -77.1 -55.7 58.7 8.3 -19.8 196 196 A A H <5S- 0 0 0 -4,-3.0 -3,-0.2 4,-0.2 -2,-0.2 0.802 139.4 -0.0 -76.3 -31.1 56.3 9.4 -22.5 197 197 A V T 5S+ 0 0 1 -6,-2.3 4,-2.0 2,-0.2 5,-0.2 0.977 125.0 36.5 -60.7 -57.5 55.9 10.7 -17.1 201 201 A G H >5S+ 0 0 0 -6,-0.8 4,-2.1 -7,-0.2 5,-0.2 0.959 121.8 44.4 -61.0 -53.7 53.0 11.4 -19.4 202 202 A C H >S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.919 117.0 45.2 -69.4 -45.0 40.4 22.4 -11.6 214 214 A V H ><5S+ 0 0 50 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.932 111.7 51.4 -66.4 -44.6 41.7 23.6 -8.2 215 215 A E H 3<5S+ 0 0 147 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.8 56.4 -63.1 -20.7 43.2 26.8 -9.6 216 216 A A T 3<5S- 0 0 44 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.475 127.1 -98.2 -88.8 -5.0 39.8 27.4 -11.2 217 217 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.421 76.7 134.4 107.1 -2.4 38.0 27.2 -7.8 218 218 A Y < - 0 0 11 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.463 64.7 -90.8 -80.6 154.9 36.7 23.6 -7.7 219 219 A A > - 0 0 28 1,-0.1 4,-2.2 -2,-0.1 3,-0.4 -0.357 28.2-128.7 -65.4 140.1 37.1 21.5 -4.5 220 220 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.830 108.2 55.8 -59.5 -33.0 40.3 19.4 -4.3 221 221 A E H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.878 108.2 48.7 -68.5 -34.2 38.3 16.2 -3.4 222 222 A M H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.944 111.5 49.3 -67.3 -47.0 36.3 16.7 -6.6 223 223 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 5,-0.3 0.867 109.4 53.6 -59.7 -36.6 39.4 17.2 -8.6 224 224 A Y H X>S+ 0 0 0 -4,-2.2 5,-2.3 -5,-0.2 4,-1.9 0.927 111.4 43.2 -65.6 -46.1 40.9 14.1 -7.1 225 225 A F H <>S+ 0 0 1 -4,-2.0 5,-2.2 3,-0.2 -2,-0.2 0.933 119.0 43.1 -64.9 -46.8 38.0 11.9 -8.0 226 226 A E H <5S+ 0 0 0 -4,-2.5 300,-0.4 1,-0.2 -1,-0.2 0.579 123.8 33.9 -78.4 -12.0 37.6 13.2 -11.6 227 227 A C H <5S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.604 136.7 4.3-116.8 -18.6 41.3 13.4 -12.4 228 228 A L T >X5S+ 0 0 1 -4,-1.9 3,-1.8 -5,-0.3 4,-0.6 0.623 118.6 56.6-131.2 -56.4 42.8 10.4 -10.6 229 229 A H T >4 S+ 0 0 2 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.847 77.1 67.5 -72.0 -33.9 41.2 6.7 -14.1 232 232 A K H S+ 0 0 54 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.913 110.3 47.5 -60.3 -45.8 38.2 2.1 -14.7 234 234 A I H X S+ 0 0 9 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.937 115.4 44.0 -62.2 -48.8 39.2 3.5 -18.0 235 235 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.914 111.3 54.2 -64.6 -42.1 42.7 1.9 -18.0 236 236 A D H X S+ 0 0 24 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.925 108.9 49.5 -57.2 -44.6 41.2 -1.4 -16.8 237 237 A L H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.919 113.5 45.0 -61.1 -44.7 38.8 -1.4 -19.7 238 238 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 111.8 53.0 -64.9 -42.8 41.6 -0.7 -22.3 239 239 A Y H < S+ 0 0 39 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.8 40.5 -60.5 -35.9 43.8 -3.3 -20.7 240 240 A E H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.769 138.7 0.2 -86.9 -29.3 41.1 -5.9 -21.0 241 241 A G H X S- 0 0 19 -4,-2.3 4,-0.6 1,-0.2 -3,-0.2 0.406 97.0-107.0-145.4 8.1 39.7 -5.1 -24.4 242 242 A G H X - 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 -0.233 49.6 -58.4 92.3 177.0 41.3 -2.2 -26.2 243 243 A I H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 131.4 49.9 -67.8 -42.7 40.3 1.3 -27.0 244 244 A A H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 111.3 50.7 -64.0 -40.9 37.2 0.6 -29.0 245 245 A N H X S+ 0 0 69 -4,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.880 111.7 47.6 -62.7 -41.9 36.0 -1.8 -26.2 246 246 A M H >X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 3,-0.7 0.928 110.2 51.3 -67.3 -45.2 36.5 0.9 -23.6 247 247 A N H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.5 53.1 -64.6 -27.2 34.8 3.6 -25.6 248 248 A Y H 3< S+ 0 0 177 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.742 107.9 53.6 -77.4 -22.5 31.7 1.4 -26.1 249 249 A S H << S+ 0 0 70 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.724 99.8 68.0 -84.3 -24.7 31.6 0.9 -22.3 250 250 A I S < S- 0 0 26 -4,-1.2 0, 0.0 1,-0.2 0, 0.0 -0.455 97.9 -80.0 -93.0 168.8 31.5 4.5 -21.3 251 251 A S > - 0 0 59 -2,-0.1 4,-2.1 1,-0.1 -1,-0.2 -0.209 35.6-119.6 -63.0 158.3 28.8 7.1 -21.8 252 252 A N H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.826 114.0 59.7 -67.6 -30.2 28.5 8.8 -25.2 253 253 A N H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 109.2 40.4 -63.4 -49.0 29.1 12.1 -23.5 254 254 A A H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 115.6 52.5 -66.7 -39.2 32.5 11.1 -22.1 255 255 A E H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 111.3 45.9 -62.2 -46.9 33.4 9.3 -25.3 256 256 A Y H X S+ 0 0 16 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.940 110.4 52.9 -62.1 -46.5 32.6 12.4 -27.4 257 257 A G H X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.6 0.870 106.3 55.5 -56.4 -36.2 34.5 14.7 -25.0 258 258 A E H X5S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.940 108.2 47.1 -60.1 -48.7 37.4 12.3 -25.4 259 259 A Y H <5S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.858 118.2 41.8 -62.5 -37.9 37.3 12.8 -29.2 260 260 A V H <5S+ 0 0 15 -4,-2.3 4,-0.2 -5,-0.1 -2,-0.2 0.924 127.0 25.1 -77.9 -48.3 37.0 16.6 -28.9 261 261 A T H >X5S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 3,-1.2 0.795 103.5 77.2 -91.3 -30.8 39.5 17.4 -26.1 262 262 A G H 3X - 0 0 17 -2,-1.2 4,-2.6 -3,-0.3 5,-0.2 -0.144 56.2 -78.6 -97.1-172.3 49.0 18.1 -29.1 268 268 A A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.871 130.9 51.9 -56.7 -38.6 51.6 18.6 -31.8 269 269 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 108.5 50.8 -67.0 -38.3 54.0 20.0 -29.1 270 270 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.933 111.9 47.2 -63.3 -46.4 53.3 16.9 -27.0 271 271 A R H X S+ 0 0 52 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.853 111.0 50.9 -64.4 -36.5 54.1 14.6 -29.9 272 272 A A H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.879 109.0 52.4 -68.6 -36.6 57.3 16.6 -30.8 273 273 A A H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.869 107.6 51.9 -66.3 -34.9 58.3 16.2 -27.1 274 274 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.906 109.5 49.5 -66.4 -41.3 57.8 12.4 -27.4 275 275 A R H X S+ 0 0 139 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 111.6 49.0 -62.9 -44.5 60.0 12.3 -30.5 276 276 A N H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 110.7 50.0 -62.5 -42.8 62.7 14.3 -28.7 277 277 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.879 109.8 51.2 -64.2 -38.5 62.6 12.0 -25.7 278 278 A L H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.912 111.4 47.9 -64.6 -41.5 62.9 9.0 -27.9 279 279 A K H X S+ 0 0 126 -4,-2.2 4,-2.6 2,-0.2 6,-0.3 0.915 108.9 52.6 -65.0 -42.9 65.9 10.5 -29.6 280 280 A R H <>S+ 0 0 39 -4,-2.5 6,-1.9 1,-0.2 5,-1.3 0.861 112.3 48.0 -60.0 -35.9 67.5 11.4 -26.3 281 281 A I H ><5S+ 0 0 0 -4,-1.8 3,-1.4 4,-0.2 6,-0.2 0.941 111.7 47.9 -68.5 -50.4 66.9 7.7 -25.3 282 282 A Q H 3<5S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.832 110.6 52.6 -60.3 -35.3 68.4 6.4 -28.6 283 283 A D T 3<5S- 0 0 98 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.380 110.4-118.5 -84.4 3.2 71.5 8.7 -28.3 284 284 A G T <>5S+ 0 0 17 -3,-1.4 4,-2.0 -5,-0.1 -3,-0.2 0.546 83.1 118.5 72.5 6.1 72.3 7.5 -24.7 285 285 A E H > S+ 0 0 0 -6,-1.9 4,-2.2 2,-0.2 5,-0.2 0.944 110.3 52.5 -66.7 -44.0 69.0 10.0 -21.1 287 287 A A H > S+ 0 0 2 -7,-0.4 4,-2.9 1,-0.2 5,-0.2 0.915 108.2 51.2 -55.4 -44.8 71.1 7.1 -19.9 288 288 A K H X S+ 0 0 133 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.904 107.8 53.2 -59.6 -42.3 73.9 9.5 -19.1 289 289 A M H X S+ 0 0 60 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.904 112.7 43.1 -60.6 -42.0 71.5 11.7 -17.2 290 290 A F H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 113.2 51.1 -71.7 -42.1 70.3 8.8 -15.0 291 291 A I H X S+ 0 0 56 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.927 113.1 45.4 -61.0 -44.4 73.8 7.4 -14.4 292 292 A T H X S+ 0 0 73 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.852 106.8 60.9 -68.2 -32.3 75.0 10.9 -13.3 293 293 A E H <>S+ 0 0 12 -4,-1.6 5,-2.7 -5,-0.2 -1,-0.2 0.929 109.2 41.6 -58.9 -46.7 71.9 11.3 -11.1 294 294 A G H ><5S+ 0 0 21 -4,-2.0 3,-1.7 3,-0.2 -1,-0.2 0.895 111.2 56.4 -67.9 -39.8 72.9 8.2 -9.1 295 295 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 107.7 48.1 -61.8 -30.0 76.6 9.2 -9.1 296 296 A A T 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.269 124.3-106.9 -93.6 10.9 75.6 12.6 -7.5 297 297 A N T < 5 - 0 0 131 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.885 63.3 -65.4 62.7 46.8 73.5 10.6 -5.0 298 298 A Y S > S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.889 78.3 37.2 -65.6 -39.1 70.0 15.4 -5.8 300 300 A S H > S+ 0 0 33 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.899 114.0 53.7 -81.8 -39.2 67.2 16.1 -8.3 301 301 A M H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 107.6 53.9 -59.3 -38.0 65.1 12.9 -7.6 302 302 A T H X S+ 0 0 58 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.928 112.1 43.9 -61.2 -44.9 65.2 13.9 -3.9 303 303 A A H X S+ 0 0 30 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.928 113.2 50.1 -66.1 -46.4 63.8 17.3 -4.9 304 304 A Y H X S+ 0 0 99 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.909 111.7 48.9 -59.6 -42.0 61.2 15.9 -7.3 305 305 A R H X S+ 0 0 54 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.939 111.2 50.8 -61.2 -47.2 60.0 13.5 -4.7 306 306 A R H X S+ 0 0 147 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.905 110.4 48.3 -56.2 -47.9 59.8 16.3 -2.1 307 307 A N H X S+ 0 0 98 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.872 112.5 47.9 -65.6 -37.7 57.7 18.5 -4.4 308 308 A N H >< S+ 0 0 7 -4,-2.1 3,-1.1 -5,-0.2 6,-0.3 0.919 108.0 55.0 -68.9 -41.0 55.3 15.7 -5.3 309 309 A A H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.835 110.9 46.3 -60.3 -31.4 54.8 14.7 -1.7 310 310 A A H 3< S+ 0 0 62 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.557 87.2 118.0 -87.2 -8.8 53.8 18.3 -0.9 311 311 A H S XX S- 0 0 19 -3,-1.1 3,-1.5 -4,-0.5 4,-1.4 -0.308 73.5-123.9 -61.3 138.8 51.5 18.5 -3.9 312 312 A P H 3> S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.736 109.2 62.7 -56.3 -24.6 47.8 19.2 -3.0 313 313 A I H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.829 104.3 48.6 -72.1 -27.8 46.7 16.0 -4.9 314 314 A E H <> S+ 0 0 19 -3,-1.5 4,-2.0 -6,-0.3 5,-0.2 0.870 110.6 50.9 -77.0 -36.5 48.8 14.0 -2.4 315 315 A Q H X S+ 0 0 125 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.963 118.2 35.5 -66.2 -51.8 47.3 15.8 0.6 316 316 A I H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.839 114.7 59.3 -72.0 -31.5 43.7 15.3 -0.3 317 317 A G H X S+ 0 0 0 -4,-1.4 4,-3.3 -5,-0.3 5,-0.3 0.935 103.7 48.7 -62.1 -47.7 44.3 11.9 -1.8 318 318 A E H X S+ 0 0 136 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.919 111.7 52.0 -57.5 -43.1 45.6 10.4 1.4 319 319 A K H < S+ 0 0 111 -4,-1.4 4,-0.3 -5,-0.2 -2,-0.2 0.944 115.3 39.7 -58.5 -51.5 42.6 11.9 3.2 320 320 A L H >X S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.886 112.4 54.5 -67.9 -41.8 40.1 10.3 0.7 321 321 A R H >< S+ 0 0 25 -4,-3.3 3,-0.8 1,-0.3 6,-0.3 0.813 100.0 62.1 -63.9 -28.0 42.0 7.0 0.4 322 322 A A T 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.700 99.7 57.1 -69.0 -17.3 41.8 6.6 4.1 323 323 A M T <4 S+ 0 0 28 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.696 95.6 71.1 -84.5 -21.8 38.1 6.6 3.7 324 324 A M X< - 0 0 3 -3,-0.8 3,-1.3 -4,-0.6 -1,-0.2 -0.846 59.4-175.2-103.0 103.1 38.2 3.6 1.3 325 325 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.765 80.4 65.9 -65.3 -29.9 39.1 0.4 3.2 326 326 A W T 3 0 0 70 0, 0.0 -2,-0.0 0, 0.0 242,-0.0 0.522 360.0 360.0 -73.1 -3.0 39.2 -1.8 0.1 327 327 A I < 0 0 56 -3,-1.3 241,-0.1 -6,-0.3 242,-0.0 -0.830 360.0 360.0 -99.9 360.0 42.2 0.3 -1.0 328 !* 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 0.0 329 1 B M 0 0 73 0, 0.0 2,-0.5 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 166.5 35.3 19.1 2.6 330 2 B R - 0 0 147 178,-0.3 178,-1.5 2,-0.0 2,-0.3 -0.948 360.0-175.5-116.4 115.6 32.1 17.9 4.2 331 3 B V E -I 507 0B 30 -2,-0.5 2,-0.4 176,-0.2 176,-0.2 -0.837 9.8-153.8-112.3 148.0 31.4 14.1 4.4 332 4 B F E -I 506 0B 23 174,-1.6 174,-0.9 -2,-0.3 2,-0.2 -0.935 10.6-172.7-120.8 143.1 28.4 12.2 5.7 333 5 B Y >> - 0 0 95 -2,-0.4 3,-2.1 172,-0.2 4,-0.8 -0.727 49.2 -81.8-124.9 175.3 28.2 8.7 7.1 334 6 B D T 34 S+ 0 0 68 168,-1.8 3,-0.4 1,-0.3 5,-0.2 0.764 126.6 64.3 -48.4 -28.2 25.5 6.3 8.2 335 7 B K T 34 S+ 0 0 202 167,-0.3 -1,-0.3 1,-0.2 -3,-0.0 0.851 105.0 42.5 -65.6 -35.8 25.4 8.2 11.5 336 8 B D T <4 S+ 0 0 91 -3,-2.1 -1,-0.2 166,-0.1 2,-0.2 0.513 107.6 86.4 -87.2 -5.9 24.3 11.4 9.7 337 9 B C < - 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0 0 30 -3,-1.8 3,-1.2 1,-0.2 4,-0.3 -0.280 27.1-126.1 -57.9 138.7 12.7 -3.7 -23.6 379 51 B A T 3 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.050 108.0 58.4 -75.9 30.0 15.2 -6.4 -24.5 380 52 B T T >> S+ 0 0 46 -2,-0.3 4,-2.3 2,-0.1 3,-0.6 0.536 71.0 92.2-128.9 -25.2 16.4 -6.0 -20.9 381 53 B V H <> S+ 0 0 32 -3,-1.2 4,-2.9 1,-0.2 5,-0.3 0.812 84.4 61.4 -42.4 -37.6 13.3 -6.7 -18.8 382 54 B A H 3> S+ 0 0 75 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.970 108.4 38.9 -55.7 -59.2 14.5 -10.3 -18.7 383 55 B K H <> S+ 0 0 146 -3,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.881 116.7 52.7 -59.8 -41.9 17.7 -9.6 -16.9 384 56 B A H ><>S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 5,-0.6 0.973 115.3 37.7 -59.4 -58.7 16.1 -7.0 -14.7 385 57 B E H ><5S+ 0 0 101 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.742 104.3 75.1 -65.6 -22.1 13.3 -9.2 -13.4 386 58 B A H 3<5S+ 0 0 74 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.826 94.9 49.3 -59.1 -32.9 15.8 -12.0 -13.4 387 59 B H T <<5S- 0 0 95 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.091 130.7 -95.1 -94.3 22.5 17.3 -10.4 -10.2 388 60 B G T < 5S+ 0 0 61 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.923 78.1 145.4 66.7 46.1 13.9 -10.2 -8.6 389 61 B L < - 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0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 -0.153 50.2 -57.3 89.6 173.5 48.9 8.0 -4.6 571 243 B I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.917 131.6 49.2 -60.3 -50.5 51.7 9.3 -6.8 572 244 B A H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.937 111.3 51.0 -57.3 -47.8 54.5 9.1 -4.2 573 245 B N H X S+ 0 0 67 -4,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.900 111.2 48.4 -55.7 -44.7 53.5 5.6 -3.3 574 246 B M H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.6 0.926 109.8 51.4 -64.0 -45.4 53.6 4.6 -7.0 575 247 B N H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.7 52.2 -64.5 -28.1 57.0 6.2 -7.6 576 248 B Y H 3< S+ 0 0 163 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.741 109.2 53.4 -78.1 -20.7 58.5 4.3 -4.6 577 249 B S H << S+ 0 0 69 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.749 100.6 66.3 -84.3 -27.3 57.1 1.1 -6.1 578 250 B I S < S- 0 0 28 -4,-1.4 0, 0.0 1,-0.2 0, 0.0 -0.431 99.1 -81.0 -90.8 169.7 58.7 1.5 -9.6 579 251 B S > - 0 0 61 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.258 36.2-117.0 -66.6 157.9 62.4 1.3 -10.5 580 252 B N H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.837 115.6 57.7 -64.6 -30.7 64.5 4.5 -10.0 581 253 B N H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.6 42.7 -65.6 -44.4 65.2 4.5 -13.7 582 254 B A H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.904 115.2 50.4 -68.1 -40.7 61.4 4.7 -14.5 583 255 B E H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 112.3 46.4 -64.0 -44.3 60.8 7.2 -11.7 584 256 B Y H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 109.7 54.0 -64.4 -44.1 63.7 9.5 -13.0 585 257 B G H X>S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.6 0.889 106.2 54.5 -56.3 -38.5 62.4 9.2 -16.6 586 258 B E H X5S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.939 108.3 47.3 -59.7 -49.7 59.0 10.3 -15.4 587 259 B Y H <5S+ 0 0 12 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 118.2 42.4 -61.5 -39.5 60.5 13.5 -13.8 588 260 B V H <5S+ 0 0 18 -4,-2.3 4,-0.2 -5,-0.1 -2,-0.2 0.944 126.6 25.1 -74.9 -50.8 62.6 14.3 -16.8 589 261 B T H >X5S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 3,-1.3 0.817 103.6 77.2 -88.9 -31.3 60.1 13.6 -19.7 590 262 B G H 3X - 0 0 16 -2,-1.3 4,-2.5 -3,-0.3 5,-0.2 -0.142 55.1 -80.0 -95.5-173.8 53.6 21.0 -21.6 596 268 B A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 130.8 51.2 -55.8 -38.0 52.5 24.6 -21.4 597 269 B E H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 107.7 52.1 -68.0 -40.1 50.4 24.1 -24.5 598 270 B S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.920 111.7 47.2 -60.7 -43.5 48.8 21.0 -23.0 599 271 B R H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.875 110.0 51.7 -66.3 -39.8 47.9 23.0 -19.9 600 272 B A H X S+ 0 0 43 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.896 109.0 52.0 -64.5 -38.0 46.5 25.9 -22.0 601 273 B A H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.857 107.7 51.9 -66.4 -33.9 44.4 23.4 -23.9 602 274 B M H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.923 110.0 48.9 -67.7 -41.3 43.1 22.1 -20.5 603 275 B R H X S+ 0 0 133 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.927 112.7 48.0 -62.0 -45.1 42.2 25.7 -19.5 604 276 B N H X S+ 0 0 83 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 110.6 50.7 -62.6 -42.6 40.4 26.2 -22.8 605 277 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.899 110.1 50.4 -63.1 -40.6 38.5 22.9 -22.5 606 278 B L H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.928 111.8 47.6 -62.9 -45.1 37.4 23.9 -19.0 607 279 B K H X S+ 0 0 115 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.905 108.5 54.4 -62.2 -41.1 36.2 27.3 -20.3 608 280 B R H <>S+ 0 0 31 -4,-2.6 6,-2.1 1,-0.2 5,-1.3 0.845 112.6 44.8 -61.6 -33.9 34.4 25.6 -23.2 609 281 B I H ><5S+ 0 0 0 -4,-1.7 3,-1.5 4,-0.2 -2,-0.2 0.910 112.2 50.3 -74.7 -46.2 32.6 23.4 -20.7 610 282 B Q H 3<5S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.842 110.4 51.7 -61.7 -33.8 31.8 26.3 -18.3 611 283 B D T 3<5S- 0 0 16 -4,-2.5 349,-0.4 -5,-0.2 -1,-0.3 0.344 111.7-118.2 -86.7 6.3 30.4 28.3 -21.2 612 284 B G T <>5S+ 0 0 0 -3,-1.5 4,-1.8 347,-0.2 -3,-0.2 0.557 83.2 118.7 70.4 6.3 28.1 25.6 -22.3 613 285 B E H > S+ 0 0 0 -6,-2.1 4,-2.2 2,-0.2 5,-0.2 0.926 110.4 53.5 -65.9 -42.6 30.9 21.8 -25.2 615 287 B A H > S+ 0 0 0 -7,-0.4 4,-2.8 1,-0.2 5,-0.2 0.899 107.6 51.2 -57.5 -41.9 27.4 20.9 -24.1 616 288 B K H X S+ 0 0 17 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.915 107.8 52.6 -62.3 -42.8 26.1 22.5 -27.3 617 289 B M H X S+ 0 0 60 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.905 113.6 42.6 -59.7 -43.8 28.5 20.4 -29.4 618 290 B F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.919 113.0 51.0 -70.8 -45.1 27.4 17.2 -27.8 619 291 B I H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.916 113.9 45.3 -59.0 -43.4 23.6 18.0 -27.9 620 292 B T H X S+ 0 0 51 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.824 108.8 57.6 -69.5 -30.7 24.0 18.8 -31.6 621 293 B E H <>S+ 0 0 13 -4,-1.4 5,-2.6 -5,-0.2 -2,-0.2 0.941 110.2 43.5 -63.2 -47.4 26.0 15.6 -32.1 622 294 B G H ><5S+ 0 0 14 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.898 112.1 52.9 -64.7 -41.0 23.2 13.5 -30.7 623 295 B A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 107.4 51.3 -66.6 -28.0 20.6 15.5 -32.7 624 296 B A T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.266 123.9-106.8 -91.3 10.8 22.5 14.9 -35.9 625 297 B N T < 5 - 0 0 128 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.904 63.4 -64.9 63.3 47.3 22.6 11.2 -35.1 626 298 B Y S > S+ 0 0 73 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.888 78.0 36.4 -62.4 -41.9 28.0 11.8 -37.5 628 300 B S H > S+ 0 0 33 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.907 114.8 53.8 -79.9 -41.2 31.4 12.6 -36.0 629 301 B M H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 106.2 55.4 -57.8 -40.1 31.4 10.0 -33.3 630 302 B T H X S+ 0 0 60 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 111.8 43.1 -57.7 -44.8 30.6 7.4 -35.9 631 303 B A H X S+ 0 0 31 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.915 113.0 50.7 -68.6 -45.1 33.7 8.4 -37.8 632 304 B Y H X S+ 0 0 100 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.893 111.5 49.7 -60.1 -38.6 35.9 8.7 -34.7 633 305 B R H X S+ 0 0 55 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.932 110.3 50.1 -64.6 -46.4 34.8 5.2 -33.7 634 306 B R H X S+ 0 0 150 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.929 111.7 47.6 -57.7 -48.0 35.6 3.9 -37.1 635 307 B N H < S+ 0 0 100 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.883 112.3 47.9 -65.4 -38.7 39.1 5.4 -37.2 636 308 B N H >< S+ 0 0 11 -4,-2.1 3,-1.1 1,-0.2 6,-0.3 0.898 108.7 55.6 -68.0 -38.6 40.0 4.2 -33.7 637 309 B A H 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.9 45.8 -61.9 -34.2 38.7 0.7 -34.5 638 310 B A T 3< S+ 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 86.2 123.1 -87.0 -3.2 41.1 0.5 -37.5 639 311 B H S X> S- 0 0 20 -3,-1.1 3,-2.0 -4,-0.4 4,-1.0 -0.329 70.8-124.5 -62.9 136.0 44.0 1.9 -35.5 640 312 B P H 3> S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.746 108.7 64.6 -52.3 -26.9 47.1 -0.4 -35.6 641 313 B I H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.826 100.8 52.1 -68.2 -27.7 47.2 -0.5 -31.7 642 314 B E H <> S+ 0 0 17 -3,-2.0 4,-2.0 -6,-0.3 -1,-0.2 0.857 107.5 51.4 -75.1 -35.2 43.8 -2.3 -31.9 643 315 B Q H X S+ 0 0 125 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.973 117.7 35.5 -66.2 -56.1 45.0 -5.0 -34.3 644 316 B I H X S+ 0 0 14 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.842 114.2 61.0 -68.1 -31.9 48.1 -6.0 -32.4 645 317 B G H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.3 5,-0.3 0.931 103.2 48.2 -60.3 -47.0 46.3 -5.4 -29.1 646 318 B E H X S+ 0 0 139 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.908 112.5 51.4 -60.8 -40.2 43.6 -8.1 -29.9 647 319 B K H X S+ 0 0 113 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.946 113.7 41.7 -60.5 -53.5 46.5 -10.5 -30.9 648 320 B L H >< S+ 0 0 2 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.900 112.4 52.5 -64.4 -43.8 48.4 -10.0 -27.7 649 321 B R H >< S+ 0 0 31 -4,-2.7 3,-1.4 1,-0.3 6,-0.3 0.861 102.8 59.9 -62.2 -34.6 45.4 -10.0 -25.3 650 322 B A H 3< S+ 0 0 82 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.814 100.8 56.6 -62.1 -28.5 44.3 -13.3 -26.9 651 323 B M T << S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.618 98.8 65.1 -77.5 -14.4 47.6 -14.8 -25.7 652 324 B M X - 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0 0 0 -4,-2.5 4,-1.8 -5,-0.4 -1,-0.2 -0.195 47.7 -59.3 88.8 175.7 23.0 45.7 -14.2 1227 243 D I H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 130.0 50.0 -65.4 -50.0 24.2 43.4 -17.0 1228 244 D A H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 112.5 49.6 -57.2 -43.8 22.1 40.4 -16.4 1229 245 D N H X S+ 0 0 70 -4,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.899 109.9 50.6 -62.4 -42.5 19.0 42.6 -16.3 1230 246 D M H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-0.7 0.942 109.7 50.6 -62.7 -44.5 20.0 44.3 -19.5 1231 247 D N H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 106.9 54.0 -65.9 -25.2 20.5 40.9 -21.2 1232 248 D Y H 3< S+ 0 0 157 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.741 108.0 52.4 -78.8 -22.0 17.1 39.7 -20.1 1233 249 D S H << S+ 0 0 67 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.774 100.3 67.5 -84.4 -29.3 15.5 42.7 -21.7 1234 250 D I S < S- 0 0 26 -4,-1.4 0, 0.0 1,-0.2 0, 0.0 -0.376 98.7 -79.6 -87.7 170.3 17.0 42.5 -25.2 1235 251 D S > - 0 0 61 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.252 35.3-118.5 -66.0 157.7 16.2 39.8 -27.7 1236 252 D N H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.813 115.6 59.0 -65.8 -28.5 17.9 36.4 -27.4 1237 253 D N H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 109.2 41.5 -65.4 -48.6 19.5 37.1 -30.8 1238 254 D A H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 115.7 50.9 -64.7 -42.4 21.2 40.2 -29.6 1239 255 D E H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.930 112.4 45.9 -62.1 -45.0 22.1 38.5 -26.3 1240 256 D Y H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.933 110.9 52.8 -64.2 -44.0 23.6 35.5 -28.1 1241 257 D G H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.5 0.886 106.9 54.5 -57.6 -38.0 25.5 37.8 -30.5 1242 258 D E H X5S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.945 107.8 48.1 -59.9 -50.0 26.9 39.6 -27.5 1243 259 D Y H <5S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 117.9 42.3 -60.4 -37.6 28.2 36.4 -26.0 1244 260 D V H <5S+ 0 0 14 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.952 126.4 25.2 -75.9 -53.0 29.8 35.4 -29.3 1245 261 D T H >X5S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 3,-1.3 0.781 103.5 77.1 -88.1 -29.4 31.4 38.6 -30.6 1246 262 D G H 3X - 0 0 16 -2,-1.2 4,-2.4 -3,-0.3 5,-0.2 -0.096 56.3 -78.6 -96.5-169.1 40.3 40.7 -26.7 1252 268 D A H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 131.0 52.8 -59.9 -37.0 43.5 39.8 -24.9 1253 269 D E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 107.7 50.3 -65.4 -42.4 45.2 42.7 -26.6 1254 270 D S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.900 112.5 47.4 -61.6 -41.5 42.5 45.1 -25.4 1255 271 D R H X S+ 0 0 52 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.889 110.1 51.1 -68.1 -41.1 42.9 43.8 -21.9 1256 272 D A H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.882 109.4 52.8 -63.5 -35.6 46.7 44.0 -22.0 1257 273 D A H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.865 106.6 51.3 -68.0 -35.9 46.2 47.6 -23.2 1258 274 D M H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.919 110.4 49.7 -65.3 -42.7 44.0 48.4 -20.3 1259 275 D R H X S+ 0 0 136 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.890 111.5 48.4 -61.3 -42.1 46.7 47.0 -17.9 1260 276 D N H X S+ 0 0 87 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.896 111.3 49.9 -66.1 -41.4 49.3 49.1 -19.6 1261 277 D A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.887 110.4 50.4 -65.3 -39.3 47.1 52.2 -19.4 1262 278 D L H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.926 112.0 47.2 -65.0 -43.4 46.5 51.6 -15.7 1263 279 D K H X S+ 0 0 114 -4,-2.3 4,-2.2 1,-0.2 6,-0.3 0.911 108.7 54.2 -64.2 -40.9 50.3 51.2 -15.1 1264 280 D R H <>S+ 0 0 35 -4,-2.5 6,-2.1 1,-0.2 5,-1.2 0.831 112.3 45.8 -61.7 -31.9 51.0 54.4 -17.1 1265 281 D I H ><5S+ 0 0 0 -4,-1.5 3,-1.4 4,-0.2 6,-0.2 0.911 111.4 50.2 -75.6 -46.5 48.6 56.2 -14.8 1266 282 D Q H 3<5S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.797 110.4 51.4 -62.5 -30.6 50.0 54.6 -11.6 1267 283 D D T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.433 111.4-120.0 -87.7 0.7 53.5 55.6 -12.6 1268 284 D G T <>5S+ 0 0 19 -3,-1.4 4,-2.0 -5,-0.1 -3,-0.2 0.550 81.5 120.6 73.6 6.2 52.5 59.2 -13.2 1269 285 D E H > S+ 0 0 0 -6,-2.1 4,-2.2 2,-0.2 5,-0.2 0.935 108.5 54.6 -67.4 -44.8 50.1 59.8 -18.1 1271 287 D A H > S+ 0 0 2 -7,-0.3 4,-2.8 1,-0.2 5,-0.2 0.924 107.1 52.0 -53.1 -45.2 49.9 62.7 -15.7 1272 288 D K H X S+ 0 0 135 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.900 106.7 53.0 -59.3 -42.8 53.1 64.0 -17.3 1273 289 D M H X S+ 0 0 60 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.904 113.9 42.2 -60.5 -41.6 51.7 63.7 -20.7 1274 290 D F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.7 51.6 -74.1 -40.3 48.6 65.8 -19.8 1275 291 D I H X S+ 0 0 42 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.934 113.7 45.3 -61.6 -44.0 50.5 68.4 -17.8 1276 292 D T H X S+ 0 0 74 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.828 108.4 58.2 -69.5 -29.7 52.9 68.9 -20.7 1277 293 D E H <>S+ 0 0 12 -4,-1.5 5,-3.0 -5,-0.2 -2,-0.2 0.944 110.8 42.0 -63.3 -47.1 49.9 69.0 -23.1 1278 294 D G H ><5S+ 0 0 10 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.923 112.4 53.6 -65.8 -43.3 48.4 71.9 -21.2 1279 295 D A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 109.0 49.5 -61.9 -29.6 51.8 73.6 -20.8 1280 296 D A T 3<5S- 0 0 61 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.314 123.3-107.7 -91.4 8.8 52.3 73.4 -24.6 1281 297 D N T < 5 - 0 0 127 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.883 62.8 -67.1 65.4 43.5 48.8 74.9 -25.1 1282 298 D Y S > S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.886 78.9 37.8 -67.3 -37.8 48.8 71.1 -29.6 1284 300 D S H > S+ 0 0 33 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.899 114.8 52.5 -81.7 -39.0 47.8 67.5 -29.9 1285 301 D M H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 106.7 55.9 -60.5 -39.2 44.3 67.9 -28.4 1286 302 D T H X S+ 0 0 58 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.931 111.4 43.4 -56.3 -45.9 43.7 70.6 -30.9 1287 303 D A H X S+ 0 0 28 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.920 112.6 50.9 -66.4 -47.4 44.5 68.2 -33.7 1288 304 D Y H X S+ 0 0 99 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.893 110.3 50.4 -58.7 -41.2 42.5 65.3 -32.3 1289 305 D R H X S+ 0 0 50 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.927 109.9 50.9 -61.4 -46.0 39.5 67.6 -31.9 1290 306 D R H X S+ 0 0 149 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.906 111.2 48.2 -58.7 -44.0 39.9 68.7 -35.5 1291 307 D N H < S+ 0 0 102 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.924 113.0 45.9 -67.6 -43.3 40.0 65.1 -36.7 1292 308 D N H >< S+ 0 0 7 -4,-2.5 3,-1.3 1,-0.2 6,-0.2 0.888 107.7 58.7 -66.2 -36.3 37.0 63.9 -34.7 1293 309 D A H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.3 45.8 -61.9 -29.4 35.0 66.9 -35.9 1294 310 D A T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.422 84.6 123.2 -93.6 0.0 35.5 65.9 -39.5 1295 311 D H X> - 0 0 18 -3,-1.3 3,-2.0 -4,-0.3 4,-1.0 -0.387 69.9-124.9 -65.6 135.8 34.6 62.2 -38.9 1296 312 D P H 3> S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.733 107.8 66.3 -53.1 -25.0 31.8 61.0 -41.1 1297 313 D I H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.834 99.2 53.1 -68.2 -27.8 29.8 59.8 -38.1 1298 314 D E H <> S+ 0 0 21 -3,-2.0 4,-2.0 -6,-0.2 -1,-0.2 0.883 107.2 50.2 -72.9 -38.9 29.5 63.5 -37.1 1299 315 D Q H X S+ 0 0 124 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.979 117.7 36.8 -63.9 -57.5 28.0 64.6 -40.4 1300 316 D I H X S+ 0 0 11 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.853 114.5 59.3 -65.5 -32.3 25.3 62.0 -40.6 1301 317 D G H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.900 103.0 50.1 -63.5 -41.7 24.8 62.2 -36.9 1302 318 D E H X S+ 0 0 139 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.900 111.9 49.2 -63.7 -41.2 23.9 65.9 -37.0 1303 319 D K H X S+ 0 0 114 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.955 114.9 42.6 -62.7 -52.7 21.4 65.3 -39.8 1304 320 D L H >X S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.2 4,-0.9 0.918 113.1 51.3 -62.5 -45.8 19.7 62.4 -38.0 1305 321 D R H >< S+ 0 0 24 -4,-2.7 3,-0.9 1,-0.3 6,-0.3 0.891 104.5 58.7 -59.9 -37.7 19.6 64.0 -34.6 1306 322 D A H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.736 100.6 58.3 -63.0 -23.2 18.0 67.1 -36.2 1307 323 D M H << S+ 0 0 35 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.772 94.3 70.8 -77.1 -28.7 15.2 64.9 -37.4 1308 324 D M X< - 0 0 5 -3,-0.9 3,-1.5 -4,-0.9 -1,-0.1 -0.818 65.3-166.4 -97.9 105.7 14.3 63.7 -33.8 1309 325 D P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.732 82.8 65.3 -59.8 -29.4 12.7 66.6 -31.9 1310 326 D W T 3 0 0 81 1,-0.0 -2,-0.0 0, 0.0 -510,-0.0 0.635 360.0 360.0 -72.9 -11.6 13.0 65.0 -28.5 1311 327 D I < 0 0 57 -3,-1.5 -415,-0.0 -6,-0.3 -3,-0.0 -0.768 360.0 360.0 -86.5 360.0 16.8 65.2 -28.8