==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-SEP-00 1GGP . COMPND 2 MOLECULE: PROTEIN (LECTIN 1 A CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES KIRILOWII; . AUTHOR M.LI,J.J.CHAI,Y.P.WANG,K.Y.WANG,R.C.BI . 488 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 3 0.6 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 . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 0 0 2 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 8 5 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 2 1 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 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 12 A S 0 0 145 0, 0.0 2,-0.3 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 60.3 35.0 22.8 45.0 2 13 A T > - 0 0 68 1,-0.1 4,-1.5 0, 0.0 5,-0.1 -0.974 360.0-132.6-141.5 154.6 32.1 22.2 42.6 3 14 A D H > S+ 0 0 43 -2,-0.3 4,-3.3 2,-0.2 5,-0.1 0.867 109.1 49.9 -71.7 -39.9 30.7 23.5 39.3 4 15 A A H > S+ 0 0 67 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.928 110.9 48.8 -64.8 -46.5 27.2 23.8 40.6 5 16 A S H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 119.1 40.4 -60.0 -38.9 28.3 25.7 43.7 6 17 A Y H X S+ 0 0 30 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.829 115.9 51.0 -77.7 -37.0 30.4 27.9 41.4 7 18 A N H X S+ 0 0 42 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.996 111.9 45.0 -63.0 -63.6 27.6 28.1 38.8 8 19 A A H X S+ 0 0 50 -4,-3.5 4,-2.6 1,-0.2 5,-0.2 0.883 109.8 62.3 -46.6 -40.7 25.0 29.1 41.3 9 20 A D H X S+ 0 0 56 -4,-1.3 4,-0.6 -5,-0.4 -1,-0.2 0.951 109.1 34.7 -50.5 -64.1 27.6 31.5 42.6 10 21 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 0.754 112.6 64.2 -66.5 -22.9 28.0 33.6 39.4 11 22 A K H >X S+ 0 0 78 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.966 101.2 48.7 -62.6 -50.5 24.3 33.1 38.7 12 23 A E H 3< S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.659 111.5 52.7 -62.2 -15.9 23.4 35.0 41.9 13 24 A E H 3< S+ 0 0 39 -4,-0.6 3,-0.5 -3,-0.2 4,-0.4 0.762 109.4 46.8 -89.2 -30.6 25.9 37.7 40.6 14 25 A R H << S+ 0 0 24 -4,-1.7 2,-0.6 -3,-0.6 3,-0.4 0.857 114.6 46.1 -79.5 -38.6 24.2 38.0 37.2 15 26 A D S < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.503 109.4 53.0-104.7 61.7 20.6 38.2 38.6 16 27 A A S S+ 0 0 81 -2,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.207 109.9 44.7-162.0 -17.7 21.3 40.7 41.4 17 28 A A S S+ 0 0 11 -4,-0.4 2,-0.3 -3,-0.4 -2,-0.1 -0.436 92.8 99.7-133.5 56.2 23.0 43.4 39.3 18 29 A E - 0 0 67 10,-0.1 10,-0.2 210,-0.1 3,-0.1 -0.940 44.1-169.0-152.0 126.5 20.7 43.6 36.3 19 30 A G B -A 27 0A 13 8,-3.4 8,-1.9 -2,-0.3 -2,-0.0 -0.778 60.0 -42.1-107.3 156.2 17.9 45.9 35.0 20 31 A P - 0 0 120 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.365 68.5-119.0 -16.7 131.4 15.7 45.1 32.0 21 32 A M - 0 0 94 5,-0.2 6,-0.1 1,-0.1 207,-0.0 -0.023 14.2-154.6 -74.9 177.1 17.5 43.6 28.9 22 33 A A S S+ 0 0 66 3,-1.7 -1,-0.1 4,-0.1 5,-0.0 0.696 89.5 10.8-117.0 -72.5 17.8 44.9 25.3 23 34 A H S S- 0 0 64 2,-0.4 424,-0.2 3,-0.1 -2,-0.0 0.049 130.3 -69.6-100.1 24.6 18.4 42.1 22.8 24 35 A G S S+ 0 0 37 1,-0.3 -3,-0.1 422,-0.1 422,-0.0 0.295 114.6 109.5 104.4 -7.4 17.6 39.5 25.4 25 36 A I S S- 0 0 4 -5,-0.1 -3,-1.7 1,-0.0 -2,-0.4 -0.911 70.2-125.8-104.4 121.8 20.8 40.3 27.2 26 37 A P - 0 0 14 0, 0.0 203,-1.5 0, 0.0 2,-0.3 -0.021 22.7-146.4 -58.5 168.3 20.3 42.1 30.6 27 38 A A B -Ab 19 229A 11 -8,-1.9 -8,-3.4 201,-0.2 203,-0.2 -0.998 17.2-103.1-143.5 146.0 22.0 45.4 31.3 28 39 A L - 0 0 4 201,-2.4 30,-0.2 -2,-0.3 -10,-0.1 -0.177 49.4 -88.8 -63.4 156.8 23.4 47.0 34.4 29 40 A N - 0 0 65 28,-0.7 202,-0.2 1,-0.1 -1,-0.1 -0.445 42.8-135.5 -70.0 139.7 21.5 49.8 36.2 30 41 A A - 0 0 35 -2,-0.1 -1,-0.1 2,-0.1 202,-0.0 0.008 53.8 -55.3 -80.9-169.3 22.1 53.4 35.0 31 43 A G S S+ 0 0 78 1,-0.3 2,-1.2 27,-0.0 -1,-0.1 0.530 111.0 102.1 -49.0 -3.0 22.7 56.5 37.0 32 44 A A + 0 0 82 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.049 59.5 107.4 -74.8 36.8 19.4 55.6 38.6 33 45 A L - 0 0 36 -2,-1.2 2,-0.2 -4,-0.1 5,-0.1 -0.975 64.3-142.5-123.3 124.5 21.5 54.3 41.5 34 46 A D >> - 0 0 101 -2,-0.5 3,-2.0 1,-0.1 4,-0.7 -0.566 29.1-117.7 -79.1 145.1 21.7 55.9 44.9 35 47 A E T 34 S+ 0 0 116 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.696 119.1 69.6 -56.3 -11.7 25.2 55.8 46.5 36 48 A A T 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.018 114.5 20.6 -93.3 24.8 23.0 53.9 49.0 37 49 A R T <4 S+ 0 0 124 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.2 0.232 96.2 94.0-172.8 10.5 22.7 51.1 46.5 38 50 A A S < S+ 0 0 12 -4,-0.7 19,-2.2 -3,-0.1 2,-0.5 0.565 76.9 75.4 -89.2 -9.4 25.5 51.5 44.1 39 51 A Y E -C 56 0B 46 -4,-0.2 2,-0.4 17,-0.2 17,-0.2 -0.906 58.6-170.2-115.2 126.6 27.7 49.0 46.1 40 52 A A E -C 55 0B 30 15,-2.7 15,-1.9 -2,-0.5 2,-0.5 -0.874 12.7-147.1-109.1 140.7 27.4 45.3 46.2 41 53 A T E -C 54 0B 88 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.928 13.8-174.3-113.2 129.0 29.3 43.1 48.6 42 54 A V E -C 53 0B 31 11,-2.0 11,-3.3 -2,-0.5 2,-0.3 -0.956 12.6-145.3-121.8 138.5 30.5 39.6 47.8 43 55 A D E -C 52 0B 117 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.735 11.7-171.0-102.9 154.4 32.1 37.3 50.2 44 56 A S E +C 51 0B 23 7,-1.9 7,-2.4 -2,-0.3 2,-0.2 -0.882 6.7 177.3-149.4 112.5 34.9 34.8 49.4 45 57 A A + 0 0 70 -2,-0.3 5,-0.2 5,-0.3 80,-0.1 -0.715 10.7 155.0-112.5 163.6 36.2 32.1 51.7 46 58 A N S S+ 0 0 35 -2,-0.2 -1,-0.1 79,-0.1 4,-0.1 0.002 81.8 1.9-146.0-103.4 38.8 29.3 51.3 47 60 A T S S- 0 0 99 75,-0.3 3,-0.1 2,-0.2 -2,-0.0 0.117 127.4 -73.2 -83.2 22.7 40.8 27.6 54.1 48 61 A D S S+ 0 0 145 1,-0.3 2,-0.8 0, 0.0 -1,-0.1 0.559 107.9 124.2 93.1 17.1 38.7 30.0 56.1 49 62 A E - 0 0 52 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.916 44.9-179.4-104.6 100.1 40.6 33.0 55.0 50 63 A E - 0 0 110 -2,-0.8 -5,-0.3 -5,-0.2 2,-0.2 -0.770 17.7-168.0-111.5 153.9 37.8 35.1 53.6 51 64 A V E -C 44 0B 6 -7,-2.4 -7,-1.9 -2,-0.3 2,-0.4 -0.652 14.7-135.0-123.6-179.3 37.5 38.5 51.9 52 65 A S E -CD 43 66B 16 14,-0.8 14,-1.4 -9,-0.2 2,-0.4 -0.987 14.5-150.8-142.0 127.8 34.7 40.8 50.9 53 66 A V E -CD 42 65B 22 -11,-3.3 -11,-2.0 -2,-0.4 2,-0.7 -0.845 3.3-155.9-106.0 140.3 34.5 42.6 47.6 54 67 A A E +C 41 0B 2 10,-2.1 9,-3.4 -2,-0.4 10,-0.4 -0.796 24.5 179.7-113.0 86.9 32.8 46.0 47.1 55 68 A V E -CD 40 62B 11 -15,-1.9 -15,-2.7 -2,-0.7 2,-0.5 -0.535 31.3-118.3 -90.1 155.3 31.8 46.1 43.5 56 69 A D E > -C 39 0B 29 5,-2.4 4,-1.9 -17,-0.2 5,-0.2 -0.792 17.5-154.7 -88.4 125.7 30.0 48.9 41.6 57 70 A V T 4 S+ 0 0 17 -19,-2.2 -28,-0.7 -2,-0.5 -1,-0.1 0.491 88.8 61.3 -83.4 -1.1 26.7 47.6 40.4 58 71 A T T 4 S+ 0 0 36 -20,-0.4 173,-0.5 -30,-0.2 -1,-0.2 0.866 131.0 1.5 -88.1 -41.5 26.6 50.2 37.6 59 72 A N T 4 S- 0 0 69 171,-0.1 -2,-0.2 2,-0.1 171,-0.1 0.302 98.2-113.5-128.1 6.0 29.7 49.0 35.8 60 73 A L < + 0 0 20 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.771 59.6 153.7 67.7 31.6 30.9 46.0 37.9 61 74 A A - 0 0 28 -5,-0.2 -5,-2.4 1,-0.0 2,-0.8 -0.679 48.0-121.0 -95.9 146.3 34.1 47.6 39.3 62 75 A V E +D 55 0B 8 -2,-0.3 -7,-0.3 -7,-0.3 12,-0.2 -0.743 28.6 179.2 -84.7 111.3 35.8 46.6 42.6 63 76 A V E - 0 0 10 -9,-3.4 11,-0.6 -2,-0.8 2,-0.3 0.510 62.3 -33.8 -90.7 -6.1 36.0 49.8 44.7 64 77 A A E - E 0 73B 0 -10,-0.4 -10,-2.1 9,-0.3 2,-0.3 -0.916 54.0-130.2 166.5 172.4 37.7 48.2 47.7 65 78 A Y E -DE 53 72B 7 7,-0.5 7,-1.9 -2,-0.3 2,-0.2 -0.993 15.0-130.6-152.4 141.9 38.0 45.0 49.8 66 79 A R E -DE 52 71B 74 -14,-1.4 -14,-0.8 -2,-0.3 5,-0.3 -0.641 13.1-174.9 -95.9 149.8 37.9 44.1 53.5 67 80 A A - 0 0 12 3,-3.1 2,-1.7 -2,-0.2 4,-0.1 -0.368 63.6 -78.2-138.9 55.9 40.3 42.0 55.6 68 81 A G S S+ 0 0 55 1,-0.2 3,-0.1 -18,-0.1 -2,-0.0 -0.472 123.9 3.0 86.6 -68.4 38.8 41.6 59.1 69 82 A S S S+ 0 0 76 -2,-1.7 21,-2.4 1,-0.1 2,-0.4 0.197 125.9 72.1-132.8 8.2 39.7 45.0 60.4 70 83 A N B -g 90 0C 51 19,-0.2 -3,-3.1 2,-0.0 2,-0.3 -0.993 53.8-171.4-135.1 134.9 41.2 46.5 57.3 71 84 A S E -E 66 0B 0 19,-1.1 2,-0.4 -2,-0.4 -5,-0.2 -0.847 9.0-155.0-118.2 155.7 39.8 47.7 54.0 72 85 A Y E -E 65 0B 20 -7,-1.9 -7,-0.5 -2,-0.3 2,-0.3 -0.850 7.8-163.2-139.7 102.2 41.7 48.7 50.8 73 86 A F E -Ef 64 93B 1 19,-1.9 21,-2.7 -2,-0.4 -9,-0.3 -0.630 24.4-114.3 -87.1 138.6 40.1 51.1 48.3 74 87 A H > - 0 0 2 -11,-0.6 3,-2.0 -2,-0.3 23,-0.2 -0.342 29.9-109.9 -68.6 150.4 41.5 51.4 44.8 75 88 A A T 3 S+ 0 0 47 21,-2.4 22,-0.2 1,-0.3 -1,-0.1 0.780 116.7 62.5 -50.2 -32.7 43.0 54.8 43.8 76 89 A A T 3 S+ 0 0 58 20,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.205 76.5 126.3 -82.2 17.7 40.0 55.5 41.5 77 90 A A < - 0 0 27 -3,-2.0 5,-0.1 -14,-0.1 -4,-0.0 -0.645 59.0-129.6 -82.8 124.0 37.6 55.4 44.4 78 91 A P > - 0 0 68 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.262 23.2-111.7 -65.9 158.7 35.4 58.5 44.8 79 92 A G G >> S+ 0 0 59 1,-0.3 3,-2.5 2,-0.2 4,-1.0 0.954 114.0 61.1 -54.5 -56.7 35.2 60.2 48.2 80 93 A S G 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.518 95.6 67.5 -50.8 -6.3 31.6 59.3 48.9 81 94 A S G X4 S+ 0 0 0 -3,-1.5 3,-0.5 2,-0.1 -1,-0.3 0.751 96.1 49.5 -88.8 -26.4 32.7 55.6 48.7 82 95 A L G X4 S+ 0 0 41 -3,-2.5 3,-0.9 -4,-0.4 -2,-0.2 0.852 103.0 61.7 -78.8 -36.5 34.9 55.6 51.9 83 96 A S G 3< S+ 0 0 94 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.356 121.0 21.5 -72.8 4.5 32.2 57.2 54.0 84 97 A H G < S+ 0 0 54 -3,-0.5 -1,-0.2 3,-0.0 -2,-0.2 0.165 106.1 76.5-161.4 30.2 29.9 54.3 53.5 85 98 A L S < S- 0 0 29 -3,-0.9 3,-0.2 -4,-0.0 -3,-0.1 0.672 118.4 -19.2-104.9 -92.9 31.8 51.2 52.4 86 99 A F S > S+ 0 0 18 1,-0.2 3,-1.4 -4,-0.1 -15,-0.1 -0.459 83.0 153.6-115.6 53.9 33.7 49.4 55.2 87 100 A S T 3 + 0 0 72 1,-0.3 4,-0.2 -2,-0.1 -1,-0.2 0.795 61.4 65.3 -53.8 -38.1 33.6 52.4 57.5 88 101 A R T 3 S+ 0 0 220 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.261 99.2 74.3 -73.9 15.9 33.8 50.5 60.7 89 102 A S S < S- 0 0 18 -3,-1.4 2,-1.2 -19,-0.0 -19,-0.2 -0.640 99.8 -87.9-120.8 177.7 37.3 49.4 59.6 90 103 A S B -g 70 0C 70 -21,-2.4 -19,-1.1 -2,-0.2 -2,-0.1 -0.752 55.2-143.3 -90.8 94.2 40.8 50.9 59.4 91 104 A Q - 0 0 65 -2,-1.2 2,-0.3 -4,-0.2 -19,-0.1 -0.019 22.6-179.4 -55.9 159.8 40.5 52.3 55.9 92 105 A H - 0 0 73 -22,-0.0 -19,-1.9 -18,-0.0 2,-0.4 -0.957 18.1-134.3-155.2 164.9 43.4 52.3 53.4 93 106 A T B -f 73 0B 112 -2,-0.3 -19,-0.2 -21,-0.2 2,-0.2 -0.993 14.1-141.8-132.3 137.1 44.2 53.5 49.8 94 107 A L - 0 0 26 -21,-2.7 -21,-0.0 -2,-0.4 -22,-0.0 -0.542 18.1-126.3 -94.0 161.2 46.0 51.7 47.0 95 108 A G S S+ 0 0 82 -2,-0.2 2,-0.3 -21,-0.1 -21,-0.1 0.174 88.5 38.5 -91.8 17.7 48.4 53.1 44.4 96 109 A F S S- 0 0 28 9,-0.0 -21,-2.4 7,-0.0 -20,-0.3 -0.958 77.1-113.8-155.0 168.8 46.5 51.9 41.4 97 110 A D - 0 0 45 -2,-0.3 6,-0.3 -23,-0.2 -34,-0.1 -0.371 38.6 -93.5-102.5-176.0 43.0 51.4 40.1 98 111 A N S S+ 0 0 41 -2,-0.1 -36,-0.1 4,-0.1 2,-0.1 0.329 87.6 114.7 -78.7 5.7 40.8 48.4 39.2 99 112 A T S > S- 0 0 66 1,-0.1 4,-2.7 -38,-0.0 5,-0.2 -0.426 70.2-134.5 -76.2 155.0 41.9 48.7 35.6 100 113 A Y H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.874 107.7 60.4 -75.8 -38.5 44.0 45.9 34.1 101 114 A G H > S+ 0 0 54 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.767 113.7 40.3 -58.4 -24.0 46.4 48.3 32.6 102 115 A D H > S+ 0 0 45 2,-0.2 4,-2.5 3,-0.1 -2,-0.2 0.927 116.5 43.4 -87.2 -61.5 46.9 49.4 36.2 103 116 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 -6,-0.3 6,-0.3 0.670 114.1 56.3 -61.2 -14.9 47.0 46.1 38.0 104 117 A A H X>S+ 0 0 25 -4,-2.2 4,-3.0 2,-0.2 5,-0.6 0.928 105.3 48.9 -78.9 -49.4 49.1 44.9 35.1 105 118 A Q H <5S+ 0 0 168 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.1 0.907 115.0 48.0 -52.6 -46.3 51.7 47.7 35.7 106 119 A A H <5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.995 114.2 40.5 -58.2 -76.8 51.6 46.7 39.4 107 120 A A H <5S- 0 0 15 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 97.1-137.0 -40.5 -46.5 52.0 42.9 39.2 108 121 A G T <5S+ 0 0 63 -4,-3.0 2,-0.2 1,-0.5 -1,-0.2 0.535 80.8 68.6 92.0 8.7 54.6 43.3 36.4 109 122 A S S - 0 0 77 -2,-0.2 3,-3.3 3,-0.1 -9,-0.0 -0.995 32.7 -81.5-166.9 162.4 49.4 40.1 33.1 111 124 A R G > S+ 0 0 27 -2,-0.3 59,-1.4 1,-0.3 3,-1.4 0.748 122.8 52.5 -31.8 -48.2 46.3 38.0 32.4 112 125 A K G 3 S+ 0 0 114 1,-0.3 -1,-0.3 57,-0.2 57,-0.1 0.761 112.1 46.8 -66.9 -24.7 47.9 35.9 29.6 113 126 A A G < S+ 0 0 57 -3,-3.3 -1,-0.3 56,-0.1 -2,-0.2 -0.190 100.2 90.6-107.6 38.8 50.8 35.1 31.9 114 127 A I < - 0 0 8 -3,-1.4 56,-0.6 56,-0.1 -1,-0.1 -0.899 68.4-136.5-144.5 113.3 48.5 34.2 34.8 115 128 A P E -H 169 0D 81 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.299 23.3-169.2 -65.1 142.8 47.0 30.8 35.7 116 129 A L E +H 168 0D 1 52,-3.3 52,-1.2 4,-0.1 2,-0.3 -0.829 31.8 83.0-130.4 166.8 43.3 30.4 36.7 117 130 A G S > S- 0 0 1 -2,-0.3 4,-1.3 1,-0.2 5,-0.2 -0.844 92.1 -51.3 132.1-169.8 41.1 27.8 38.2 118 131 A A H > S+ 0 0 43 48,-0.3 2,-2.8 -2,-0.3 4,-1.3 0.965 131.9 58.8 -65.2 -53.5 40.3 26.5 41.8 119 132 A A H 4 S+ 0 0 88 47,-0.2 -1,-0.3 1,-0.2 0, 0.0 -0.493 109.3 47.8 -75.0 73.8 44.0 26.1 42.5 120 133 A A H > S+ 0 0 10 -2,-2.8 4,-0.9 -3,-0.2 -1,-0.2 0.028 109.1 41.7-174.2 -57.8 44.5 29.7 41.8 121 134 A L H X S+ 0 0 41 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.569 104.7 74.1 -82.1 -8.5 41.9 31.9 43.6 122 135 A E H X S+ 0 0 100 -4,-1.3 4,-0.6 -5,-0.2 -75,-0.3 0.933 110.7 25.6 -65.0 -47.8 42.6 29.4 46.5 123 136 A S H > S+ 0 0 72 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.592 112.6 73.4 -90.3 -15.2 45.9 31.2 47.0 124 137 A G H X S+ 0 0 0 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.934 100.1 44.1 -62.2 -45.4 44.5 34.4 45.5 125 138 A I H X S+ 0 0 5 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.830 108.7 59.1 -67.1 -36.0 42.4 34.9 48.6 126 139 A A H X S+ 0 0 27 -4,-0.6 4,-3.3 2,-0.2 -2,-0.2 0.979 103.3 49.5 -58.4 -57.9 45.4 34.0 50.9 127 140 A S H X S+ 0 0 45 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.878 114.4 49.3 -49.3 -38.5 47.6 36.8 49.5 128 141 A L H < S+ 0 0 6 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.990 109.2 46.9 -66.4 -60.8 44.6 39.1 50.1 129 142 A N H < S+ 0 0 57 -4,-3.2 -2,-0.2 -80,-0.1 -1,-0.2 0.923 125.2 37.5 -46.6 -46.6 43.9 38.0 53.7 130 143 A S H < S- 0 0 76 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.879 107.7-131.9 -69.9 -98.8 47.6 38.4 54.3 131 144 A K < + 0 0 67 -4,-0.7 -1,-0.1 1,-0.2 -2,-0.0 -0.387 52.6 59.5-170.5-110.9 48.6 41.5 52.2 132 145 A N S S+ 0 0 111 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.576 91.7 37.6 -37.2-164.5 51.1 42.8 49.6 133 146 A P S S+ 0 0 98 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.700 76.2 129.6 10.3 54.9 51.9 41.6 46.0 134 151 A L + 0 0 12 2,-0.1 4,-0.3 1,-0.1 5,-0.1 0.233 34.4 100.0-107.7 0.5 48.2 40.8 45.8 135 152 A A S >> S+ 0 0 7 1,-0.2 3,-1.6 2,-0.2 4,-0.8 0.948 85.3 45.9 -54.5 -50.4 48.0 42.7 42.5 136 153 A R H >> S+ 0 0 104 1,-0.3 4,-2.1 2,-0.2 3,-1.5 0.902 103.7 61.3 -60.5 -43.6 48.1 39.4 40.6 137 154 A T H 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.557 100.2 58.3 -62.5 -4.6 45.6 37.8 43.0 138 155 A L H X> S+ 0 0 9 -3,-1.6 4,-2.5 -4,-0.3 3,-0.8 0.745 103.6 50.9 -92.1 -28.8 43.3 40.6 41.6 139 156 A M H >S+ 0 0 14 -3,-0.8 4,-2.3 -5,-0.1 5,-0.6 0.409 114.0 45.2-140.9 -54.2 40.0 37.0 41.1 142 159 A I H X>S+ 0 0 11 -4,-2.5 5,-2.5 1,-0.2 4,-2.1 0.931 122.3 43.0 -62.4 -42.0 38.3 39.8 39.2 143 160 A Q H <5S+ 0 0 2 -4,-1.4 -1,-0.2 -5,-0.5 -3,-0.2 0.862 116.4 46.3 -70.1 -38.8 38.6 37.6 36.2 144 161 A M H 45S+ 0 0 7 -5,-0.3 -2,-0.2 3,-0.1 -1,-0.2 0.738 130.8 20.7 -77.2 -23.1 37.5 34.5 37.9 145 162 A L H <5S+ 0 0 21 -4,-2.3 -3,-0.2 3,-0.0 -2,-0.2 0.801 134.2 25.8-112.2 -46.9 34.6 36.2 39.6 146 163 A V T >X> -I 226 0E 0 75,-0.3 4,-1.0 -4,-0.2 3,-0.6 -0.988 62.7-156.5-128.7 122.1 30.5 36.5 29.5 152 169 A R H 3> S+ 0 0 31 73,-3.3 4,-1.7 -2,-0.4 73,-0.1 0.791 96.3 64.6 -62.4 -26.6 29.1 32.9 29.7 153 170 A Y H 34 S+ 0 0 2 2,-0.2 -1,-0.2 1,-0.2 -5,-0.1 0.826 99.2 46.4 -67.0 -38.7 32.3 32.0 27.9 154 171 A I H <> S+ 0 0 0 -3,-0.6 4,-1.8 -7,-0.2 -1,-0.2 0.725 110.9 54.8 -77.7 -21.7 34.8 33.0 30.6 155 172 A Q H X S+ 0 0 16 -4,-1.0 4,-0.8 -7,-0.3 -2,-0.2 0.875 106.9 50.0 -75.5 -38.3 32.6 31.1 33.1 156 173 A N H X S+ 0 0 16 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.485 110.5 51.7 -77.4 -1.8 32.9 28.1 30.9 157 174 A N H 4 S+ 0 0 19 2,-0.2 4,-0.4 -3,-0.2 -2,-0.2 0.779 114.4 39.9 -96.2 -40.5 36.7 28.6 30.9 158 175 A V H X S+ 0 0 1 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.547 123.5 45.8 -82.0 -9.3 36.8 28.8 34.7 159 176 A D H X S+ 0 0 1 -4,-0.8 4,-1.8 2,-0.2 -3,-0.2 0.822 106.7 51.7 -99.7 -46.5 34.3 26.0 34.6 160 177 A V H X S+ 0 0 37 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.674 109.3 59.1 -65.9 -14.6 35.8 23.6 32.1 161 178 A S H >>S+ 0 0 6 -4,-0.4 4,-2.2 2,-0.2 5,-0.9 0.977 103.3 44.5 -76.1 -62.9 38.8 24.0 34.2 162 179 A I H <5S+ 0 0 35 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.836 117.1 55.7 -48.4 -30.7 37.3 22.7 37.5 163 180 A E H <5S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.989 111.2 34.8 -62.9 -81.4 36.0 20.1 35.0 164 181 A T H <5S- 0 0 86 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.598 106.1-128.7 -53.3 -11.6 39.3 18.8 33.4 165 182 A Q T <5 + 0 0 178 -4,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.816 68.9 107.7 66.0 33.2 41.0 19.4 36.8 166 183 A S < - 0 0 70 -5,-0.9 -48,-0.3 1,-0.0 2,-0.3 -0.454 65.7-110.6-122.2-166.0 43.9 21.4 35.5 167 184 A A + 0 0 59 -2,-0.2 2,-0.3 -50,-0.1 -50,-0.2 -0.795 34.2 174.8-123.8 168.4 45.1 25.0 35.6 168 185 A F E -H 116 0D 49 -52,-1.2 -52,-3.3 -2,-0.3 2,-0.2 -0.991 23.8-120.9-169.3 164.1 45.2 27.5 32.7 169 186 A A E -H 115 0D 40 -2,-0.3 2,-0.6 -54,-0.3 -57,-0.2 -0.714 41.3 -91.0-111.7 164.7 46.0 31.1 31.5 170 187 A A - 0 0 1 -59,-1.4 -56,-0.1 -56,-0.6 -16,-0.0 -0.655 45.4-158.0 -79.1 116.7 43.8 33.7 29.8 171 188 A D > - 0 0 43 -2,-0.6 4,-1.6 1,-0.1 5,-0.1 0.036 39.4 -85.1 -79.4-169.1 44.1 33.4 26.0 172 189 A A H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 33,-0.6 0.673 123.4 67.6 -73.7 -15.4 43.4 36.0 23.3 173 190 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 32,-0.2 0.946 106.4 34.5 -68.7 -51.3 39.8 34.8 23.4 174 191 A M H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.850 116.9 55.8 -74.0 -35.8 39.0 36.0 26.9 175 192 A I H X S+ 0 0 23 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.948 108.9 44.7 -62.1 -51.5 41.2 39.1 26.7 176 193 A S H X S+ 0 0 12 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.932 116.1 47.8 -58.9 -45.8 39.6 40.5 23.5 177 194 A L H < S+ 0 0 4 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.935 113.2 50.0 -59.2 -46.9 36.1 39.8 25.0 178 195 A E H >< S+ 0 0 7 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.912 114.2 40.6 -59.0 -50.3 37.2 41.4 28.3 179 196 A N H 3< S+ 0 0 92 -4,-2.9 3,-0.3 1,-0.2 4,-0.2 0.579 111.8 58.3 -79.7 -8.1 38.6 44.6 26.8 180 197 A N T 3X S+ 0 0 32 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.051 73.7 102.0-106.2 22.5 35.7 44.9 24.3 181 198 A W H <> S+ 0 0 12 -3,-1.0 4,-1.1 2,-0.2 49,-0.5 0.792 83.6 45.7 -76.6 -27.7 33.0 44.9 26.9 182 199 A A H > S+ 0 0 45 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.868 117.4 42.8 -81.0 -39.7 32.5 48.7 26.7 183 200 A N H > S+ 0 0 91 -4,-0.2 4,-4.2 2,-0.2 5,-0.3 0.983 110.1 55.8 -68.5 -58.9 32.5 48.7 22.9 184 201 A L H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.894 112.6 42.1 -35.1 -70.1 30.3 45.7 22.5 185 202 A S H >X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 3,-0.8 0.915 116.3 47.1 -43.7 -63.0 27.5 47.2 24.6 186 203 A A H >X S+ 0 0 30 -4,-1.9 4,-3.3 1,-0.3 3,-0.6 0.920 115.5 47.7 -47.1 -49.4 27.8 50.7 23.1 187 204 A L H 3< S+ 0 0 24 -4,-4.2 4,-0.3 1,-0.2 -1,-0.3 0.753 113.2 47.3 -66.7 -26.3 27.8 49.0 19.7 188 205 A V H << S+ 0 0 3 -4,-2.1 -1,-0.2 -3,-0.8 -2,-0.2 0.605 119.6 38.8 -90.2 -12.6 24.8 46.8 20.6 189 206 A Q H << S+ 0 0 24 -4,-1.8 45,-0.4 -3,-0.6 -2,-0.2 0.737 116.2 48.9-102.4 -35.3 22.8 49.7 22.0 190 207 A G S >< S+ 0 0 10 -4,-3.3 2,-1.1 -5,-0.4 3,-0.6 0.714 101.4 73.9 -75.2 -18.0 23.9 52.3 19.5 191 208 A S T 3 > + 0 0 4 -4,-0.3 5,-1.0 -5,-0.3 -1,-0.2 -0.551 60.3 102.5 -96.8 70.0 22.9 49.7 16.9 192 209 A S T 3 5S+ 0 0 86 -2,-1.1 3,-0.3 -3,-0.2 -1,-0.2 0.577 79.7 50.5-117.9 -25.2 19.2 49.8 17.1 193 601 A G T < 5S+ 0 0 20 -3,-0.6 89,-0.4 1,-0.2 -2,-0.1 0.733 110.7 49.3 -84.4 -25.8 18.5 51.9 13.9 194 602 A G T 5S- 0 0 2 3,-0.2 -1,-0.2 -4,-0.2 84,-0.1 0.276 109.7-134.4 -92.8 9.1 20.8 49.6 11.9 195 210 A Q T 5S- 0 0 34 -3,-0.3 -3,-0.2 1,-0.2 123,-0.1 0.852 77.4 -10.0 35.1 69.4 18.7 46.7 13.4 196 211 A G S - 0 0 9 4,-1.6 3,-1.4 -2,-0.3 -34,-0.1 -0.254 40.7 -91.5 -83.5-178.9 38.5 32.1 19.0 207 222 A A T 3 S+ 0 0 44 282,-3.1 -35,-0.1 1,-0.3 -34,-0.1 0.755 128.2 59.2 -66.5 -23.2 40.1 29.4 21.1 208 223 A E T 3 S- 0 0 95 281,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.070 121.0-108.4 -92.9 24.1 42.4 28.6 18.2 209 224 A D < + 0 0 103 -3,-1.4 -2,-0.1 1,-0.2 -4,-0.0 0.818 68.6 151.7 52.8 36.6 43.7 32.2 18.2 210 225 A E - 0 0 102 2,-0.0 -4,-1.6 1,-0.0 -1,-0.2 -0.874 47.3-123.6 -99.4 116.3 41.8 33.0 15.0 211 226 A P E -J 205 0F 83 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.370 26.3-159.7 -61.1 132.8 40.8 36.7 14.8 212 227 A I E -J 204 0F 28 -8,-2.3 -8,-2.1 -2,-0.1 2,-1.1 -0.967 11.1-151.7-120.9 127.1 37.1 37.2 14.3 213 228 A I E -J 203 0F 58 -2,-0.5 149,-0.6 -10,-0.2 2,-0.4 -0.707 16.5-162.1-100.1 85.6 35.6 40.4 13.0 214 229 A V E +J 202 0F 3 -12,-2.2 -12,-1.8 -2,-1.1 -14,-0.1 -0.527 18.8 168.2 -70.6 124.2 32.1 40.6 14.6 215 230 A D E + 0 0 6 -2,-0.4 -17,-2.8 -14,-0.2 2,-0.2 0.681 60.6 17.4-107.1 -29.6 29.9 43.1 12.7 216 231 A A E S-J 197 0F 0 -19,-0.3 3,-0.2 146,-0.1 -19,-0.2 -0.687 75.1-107.1-133.9-174.3 26.5 42.4 14.1 217 232 A V S S+ 0 0 8 -21,-0.7 6,-0.5 -2,-0.2 2,-0.3 0.532 96.5 92.0 -94.6 -10.1 24.7 40.8 17.0 218 233 A Y + 0 0 20 -22,-0.5 -1,-0.2 141,-0.4 3,-0.0 0.079 66.8 98.6 -74.7 27.5 23.6 37.8 14.9 219 234 A H S >> S- 0 0 11 -2,-0.3 4,-1.7 -3,-0.2 3,-1.7 -0.915 77.2-132.3-116.6 143.1 26.7 35.9 15.9 220 235 A P H 3>>S+ 0 0 25 0, 0.0 4,-1.6 0, 0.0 5,-1.0 0.843 104.7 70.5 -59.7 -34.2 26.7 33.3 18.6 221 236 A T H 345S+ 0 0 11 1,-0.2 5,-0.1 3,-0.2 -68,-0.1 0.489 111.6 31.9 -62.5 -1.0 29.8 34.9 20.1 222 237 A V H <>5S+ 0 0 4 -3,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.720 120.7 39.2-120.4 -58.3 27.5 37.7 21.1 223 238 A A H <5S+ 0 0 20 -4,-1.7 226,-0.1 -6,-0.5 -2,-0.1 0.832 126.1 36.6 -67.5 -34.9 23.9 36.5 21.9 224 603 A A T <5S+ 0 0 4 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.2 0.826 123.2 41.2 -87.6 -35.5 25.1 33.3 23.7 225 239 A V T 4 + 0 0 0 4,-1.3 3,-2.0 1,-0.2 161,-0.4 -0.730 38.6 50.1-174.0-134.8 22.9 32.5 3.6 246 21 B R G > S- 0 0 36 1,-0.3 3,-2.0 -2,-0.2 -1,-0.2 0.042 126.5 -18.8 -35.3 117.4 22.5 29.1 1.9 247 22 B D G 3 S- 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.853 124.4 -59.2 45.5 44.1 25.8 27.1 2.2 248 23 B G G < S+ 0 0 17 -3,-2.0 20,-0.5 1,-0.2 2,-0.3 0.697 96.7 145.6 63.0 21.7 27.7 30.3 2.9 249 24 B F E < - 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