==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUL-08 2K6H . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR Y.YANG,A.N.MAK,P.C.SHAW,K.H.SZE . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.4 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 1 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 . 1 1 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 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 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-101.0 1.2 2.0 0.2 2 2 A K + 0 0 134 2,-0.0 2,-0.5 0, 0.0 101,-0.1 0.653 360.0 89.6 -89.5 -18.6 1.0 -1.2 -2.1 3 3 A R - 0 0 155 99,-0.1 2,-0.9 1,-0.0 98,-0.1 -0.729 65.2-151.3 -85.7 125.8 -1.7 -3.1 -0.1 4 4 A I - 0 0 24 96,-0.7 99,-0.2 -2,-0.5 53,-0.1 -0.836 20.8-151.9 -96.7 94.8 -5.3 -2.4 -1.2 5 5 A V - 0 0 109 -2,-0.9 2,-0.1 1,-0.1 97,-0.1 -0.497 12.5-122.1 -70.1 134.6 -7.2 -3.0 2.1 6 6 A P - 0 0 19 0, 0.0 50,-0.1 0, 0.0 52,-0.1 -0.507 22.6-126.0 -68.8 148.7 -10.9 -4.1 1.8 7 7 A K S S- 0 0 112 50,-0.3 2,-0.2 1,-0.1 51,-0.1 0.960 78.3 -20.6 -66.7 -53.0 -13.2 -1.6 3.7 8 8 A F - 0 0 182 51,-0.1 51,-0.5 -3,-0.0 2,-0.4 -0.825 65.8-117.9-142.7 177.4 -14.9 -4.2 6.0 9 9 A T E -a 59 0A 42 -2,-0.2 2,-0.8 49,-0.1 51,-0.2 -0.969 15.4-133.3-127.1 140.5 -15.5 -8.0 6.1 10 10 A E E -a 60 0A 100 49,-2.1 51,-2.7 -2,-0.4 2,-0.4 -0.864 26.0-163.0 -95.7 106.1 -18.8 -9.9 6.0 11 11 A I E -a 61 0A 85 -2,-0.8 51,-0.2 49,-0.2 59,-0.0 -0.823 5.5-169.8 -97.4 132.4 -18.6 -12.5 8.8 12 12 A F E -a 62 0A 23 49,-2.8 51,-2.5 -2,-0.4 2,-0.8 -0.978 21.8-138.1-129.9 113.0 -21.2 -15.4 8.6 13 13 A P E -a 63 0A 70 0, 0.0 51,-0.2 0, 0.0 49,-0.1 -0.643 22.1-174.4 -65.6 106.6 -21.8 -18.0 11.4 14 14 A V S S+ 0 0 6 49,-3.0 50,-0.2 -2,-0.8 121,-0.1 0.874 76.5 57.4 -73.0 -40.3 -22.2 -21.2 9.3 15 15 A E S S+ 0 0 76 48,-0.6 2,-1.3 1,-0.2 -1,-0.2 0.864 96.2 66.3 -65.4 -36.5 -23.2 -23.5 12.2 16 16 A D > - 0 0 104 1,-0.1 2,-1.7 2,-0.0 3,-0.5 -0.695 69.3-170.8 -90.2 86.9 -26.2 -21.4 13.2 17 17 A A T 3 + 0 0 33 -2,-1.3 -1,-0.1 1,-0.2 -3,-0.1 -0.146 41.5 129.8 -73.1 38.5 -28.4 -21.9 10.0 18 18 A N T 3 + 0 0 136 -2,-1.7 -1,-0.2 2,-0.1 -3,-0.0 0.896 66.6 51.8 -62.3 -43.0 -30.9 -19.2 11.2 19 19 A Y S < S- 0 0 66 -3,-0.5 2,-0.1 1,-0.1 0, 0.0 -0.747 92.0-119.8 -93.3 141.7 -30.8 -17.4 7.8 20 20 A P > - 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.382 23.6-113.4 -72.3 162.3 -31.4 -19.3 4.6 21 21 A Y H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 119.5 61.9 -65.8 -31.3 -28.7 -19.5 1.8 22 22 A S H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.949 107.1 42.9 -54.7 -50.2 -31.1 -17.4 -0.3 23 23 A A H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 111.7 55.1 -66.3 -41.5 -30.8 -14.6 2.3 24 24 A F H X S+ 0 0 12 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.964 114.2 39.4 -52.4 -57.8 -27.0 -15.1 2.6 25 25 A I H X S+ 0 0 2 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.923 112.8 57.0 -61.3 -45.2 -26.6 -14.6 -1.2 26 26 A A H X S+ 0 0 29 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.887 105.1 51.6 -54.4 -44.5 -29.3 -11.8 -1.3 27 27 A S H X S+ 0 0 65 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.954 117.4 36.9 -57.9 -54.2 -27.3 -9.8 1.3 28 28 A V H X S+ 0 0 17 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.912 114.9 58.4 -65.3 -42.0 -24.0 -10.0 -0.7 29 29 A R H X S+ 0 0 60 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.915 101.0 53.7 -54.9 -52.4 -25.9 -9.7 -4.1 30 30 A K H X S+ 0 0 150 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.899 111.0 46.5 -54.2 -44.2 -27.5 -6.3 -3.3 31 31 A D H X S+ 0 0 60 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.912 113.5 46.6 -70.3 -40.4 -24.1 -4.8 -2.5 32 32 A V H >X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 3,-1.2 0.899 105.4 60.7 -68.6 -34.9 -22.3 -6.1 -5.6 33 33 A I H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.879 98.0 59.6 -60.2 -34.7 -25.2 -5.1 -7.9 34 34 A K H 3< S+ 0 0 153 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.822 107.7 45.8 -57.2 -35.4 -24.6 -1.4 -6.8 35 35 A H H << S+ 0 0 54 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.819 102.5 79.7 -80.3 -36.6 -21.0 -1.8 -8.2 36 36 A C S < S- 0 0 15 -4,-1.8 2,-0.3 11,-0.1 11,-0.2 -0.152 73.1-136.5 -62.3 168.4 -22.2 -3.4 -11.5 37 37 A T E -F 46 0B 94 9,-2.8 9,-2.9 1,-0.0 2,-0.1 -0.828 17.2-111.6-122.3 157.1 -23.6 -1.5 -14.4 38 38 A D E - 0 0 139 -2,-0.3 2,-0.3 7,-0.2 5,-0.1 -0.443 26.4-159.9 -74.8 165.1 -26.6 -2.2 -16.7 39 39 A H E > -F 42 0B 47 3,-0.7 3,-1.7 5,-0.1 2,-0.1 -0.977 32.6 -93.4-140.7 151.1 -26.2 -3.1 -20.4 40 40 A K T 3 S+ 0 0 183 -2,-0.3 3,-0.1 1,-0.3 173,-0.0 -0.383 110.6 6.4 -62.7 132.8 -28.9 -2.8 -23.1 41 41 A G T 3 S+ 0 0 40 1,-0.1 2,-0.6 172,-0.1 -1,-0.3 0.425 105.3 105.4 74.2 1.3 -30.7 -6.2 -23.5 42 42 A I E < -F 39 0B 12 -3,-1.7 -3,-0.7 1,-0.2 -1,-0.1 -0.955 44.3-175.9-114.6 110.4 -29.0 -7.8 -20.5 43 43 A F E + 0 0 180 -2,-0.6 -1,-0.2 -5,-0.1 3,-0.1 0.889 66.8 84.8 -64.7 -41.6 -31.3 -8.1 -17.4 44 44 A Q E S- 0 0 10 1,-0.1 195,-0.2 195,-0.1 -5,-0.1 -0.429 95.1-104.9 -64.2 130.8 -28.4 -9.5 -15.4 45 45 A P E - 0 0 21 0, 0.0 195,-2.1 0, 0.0 2,-0.5 -0.316 34.3-135.2 -54.2 138.2 -26.0 -6.8 -13.8 46 46 A V E -Fg 37 240B 9 -9,-2.9 -9,-2.8 193,-0.2 195,-0.2 -0.859 15.2-128.7-106.1 126.5 -22.7 -6.5 -15.7 47 47 A L - 0 0 1 193,-2.2 196,-0.1 -2,-0.5 29,-0.1 -0.238 25.2-105.6 -64.8 162.3 -19.4 -6.4 -13.8 48 48 A P - 0 0 33 0, 0.0 194,-0.4 0, 0.0 -1,-0.1 -0.398 48.1 -83.3 -74.8 163.6 -16.7 -3.7 -14.3 49 49 A P - 0 0 81 0, 0.0 2,-0.9 0, 0.0 28,-0.1 -0.202 62.0 -77.1 -58.3 162.7 -13.4 -4.5 -16.2 50 50 A E - 0 0 122 192,-0.1 2,-0.4 -3,-0.1 3,-0.1 -0.534 47.3-173.9 -73.7 102.4 -10.6 -6.1 -14.2 51 51 A K - 0 0 132 -2,-0.9 25,-0.2 1,-0.1 4,-0.0 -0.781 17.7-152.2 -80.7 140.5 -8.7 -3.5 -12.0 52 52 A K S S+ 0 0 128 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.837 96.6 27.0 -78.1 -34.0 -5.6 -5.1 -10.3 53 53 A V S S+ 0 0 79 -3,-0.1 -1,-0.3 -50,-0.0 -50,-0.0 -0.831 88.3 176.8-129.1 83.8 -6.0 -2.5 -7.5 54 54 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.055 48.3 -96.2 -73.7-176.0 -9.7 -1.4 -7.2 55 55 A E S S- 0 0 136 1,-0.3 2,-0.3 -51,-0.0 -50,-0.0 0.926 100.7 -26.6 -62.5 -48.8 -11.4 0.9 -4.7 56 56 A L - 0 0 36 -50,-0.1 2,-0.3 -49,-0.0 -1,-0.3 -0.938 58.9-147.5-154.1 173.0 -12.4 -2.2 -2.7 57 57 A W - 0 0 6 -2,-0.3 2,-0.7 17,-0.1 -50,-0.3 -0.902 36.4 -88.4-143.5 170.0 -13.1 -6.0 -3.0 58 58 A L E - B 0 73A 20 15,-2.0 15,-2.9 -2,-0.3 2,-0.5 -0.750 39.1-176.2 -90.5 109.6 -15.4 -8.4 -1.2 59 59 A Y E +aB 9 72A 25 -2,-0.7 -49,-2.1 -51,-0.5 2,-0.3 -0.938 10.2 178.9-104.6 126.4 -13.8 -10.0 1.9 60 60 A T E -aB 10 71A 10 11,-2.2 11,-2.8 -2,-0.5 2,-0.5 -0.974 16.8-154.7-133.5 143.1 -16.0 -12.6 3.5 61 61 A E E -aB 11 70A 17 -51,-2.7 -49,-2.8 -2,-0.3 2,-0.6 -0.981 2.2-159.2-124.8 118.2 -15.4 -14.9 6.6 62 62 A L E -aB 12 69A 4 7,-2.2 7,-2.2 -2,-0.5 2,-0.5 -0.894 17.6-171.7 -92.7 118.7 -17.2 -18.2 7.1 63 63 A K E -aB 13 68A 85 -51,-2.5 -49,-3.0 -2,-0.6 -48,-0.6 -0.970 3.6-176.3-117.6 122.7 -17.0 -19.0 10.8 64 64 A T - 0 0 13 3,-2.9 71,-0.0 -2,-0.5 -48,-0.0 -0.291 48.8 -74.5-101.6-168.9 -18.2 -22.4 12.1 65 65 A R S S+ 0 0 212 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.839 128.2 7.3 -51.1 -39.5 -18.5 -24.0 15.6 66 66 A T S S+ 0 0 112 1,-0.1 2,-0.3 69,-0.1 -1,-0.2 0.562 123.4 47.5-126.2 -19.2 -14.7 -24.4 15.9 67 67 A S - 0 0 20 68,-0.0 -3,-2.9 2,-0.0 2,-0.4 -0.858 51.9-151.5-138.9 162.0 -13.0 -22.6 13.0 68 68 A S E +B 63 0A 36 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.998 11.9 180.0-137.1 134.3 -12.8 -19.4 10.8 69 69 A I E -B 62 0A 5 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.4 -0.998 13.9-152.0-132.4 135.6 -11.7 -19.0 7.2 70 70 A T E -BC 61 84A 2 14,-1.3 14,-2.2 -2,-0.4 2,-0.4 -0.866 11.5-163.3-102.3 141.6 -11.6 -15.7 5.2 71 71 A L E -BC 60 83A 10 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.6 -0.963 11.5-139.9-126.6 139.4 -12.1 -15.9 1.4 72 72 A A E -BC 59 82A 0 10,-2.9 9,-1.8 -2,-0.4 10,-1.0 -0.920 16.3-174.9-109.0 112.6 -11.2 -13.1 -1.0 73 73 A I E -BC 58 80A 8 -15,-2.9 -15,-2.0 -2,-0.6 2,-0.6 -0.937 19.9-143.5-107.1 106.8 -13.6 -12.4 -3.8 74 74 A R E >>> - C 0 79A 20 5,-1.4 4,-2.5 -2,-0.6 3,-1.7 -0.661 11.7-143.2 -69.6 120.3 -12.2 -9.7 -6.2 75 75 A M T 345S+ 0 0 21 -2,-0.6 -1,-0.2 1,-0.3 -18,-0.1 0.799 96.3 61.8 -54.5 -32.0 -15.4 -7.8 -7.1 76 76 A D T 345S+ 0 0 3 1,-0.2 166,-0.4 -25,-0.2 -1,-0.3 0.699 123.9 16.1 -71.2 -24.7 -14.1 -7.4 -10.7 77 77 A N T <45S- 0 0 37 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.526 87.2-140.9-117.1 -20.3 -14.0 -11.2 -11.4 78 78 A L T <5 + 0 0 0 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.825 59.4 136.1 41.1 42.7 -16.2 -12.5 -8.6 79 79 A Y E > - D 0 89A 1 4,-2.1 3,-2.1 -2,-0.4 4,-0.6 -0.643 27.2-121.2 -73.6 143.6 -5.6 -19.2 7.3 86 86 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.674 108.1 79.3 -64.8 -12.8 -6.3 -18.4 11.1 87 87 A G T 34 S- 0 0 70 57,-0.2 3,-0.1 55,-0.2 58,-0.0 0.499 120.4-103.4 -67.0 -5.6 -2.5 -18.8 11.6 88 88 A G T <4 S+ 0 0 50 -3,-2.1 2,-0.3 1,-0.4 -1,-0.1 0.660 85.8 111.6 92.4 19.1 -2.3 -15.2 10.1 89 89 A V E < -D 85 0A 59 -4,-0.6 -4,-2.1 17,-0.0 -1,-0.4 -0.833 53.9-139.7-115.0 160.7 -1.0 -16.1 6.6 90 90 A W E -D 84 0A 67 -2,-0.3 17,-2.9 -6,-0.2 2,-0.3 -0.826 9.4-158.3-115.1 159.7 -2.8 -15.8 3.2 91 91 A W E -De 83 107A 23 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.3 -0.909 4.0-161.7-131.7 159.2 -2.9 -18.1 0.2 92 92 A E E -De 82 108A 19 15,-1.6 17,-2.8 -2,-0.3 2,-0.4 -0.979 31.0-102.0-140.5 146.4 -3.7 -17.4 -3.5 93 93 A F S S+ 0 0 25 -12,-2.2 2,-0.2 -2,-0.3 19,-0.1 -0.606 87.5 56.0 -68.3 128.0 -4.7 -19.6 -6.5 94 94 A G S S- 0 0 29 17,-1.0 16,-2.5 -2,-0.4 2,-0.3 -0.819 76.8-105.2 137.9-178.3 -1.5 -20.0 -8.7 95 95 A K S S- 0 0 166 -2,-0.2 -2,-0.0 14,-0.2 14,-0.0 -0.977 89.9 -4.0-145.8 138.8 2.1 -21.2 -8.3 96 96 A D S S+ 0 0 143 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 0.841 115.9 87.6 48.1 41.0 5.3 -19.2 -8.1 97 97 A G + 0 0 38 -5,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.575 53.3 174.2-172.9 91.1 3.2 -16.1 -8.8 98 98 A D - 0 0 69 -2,-0.1 2,-0.3 10,-0.1 7,-0.1 -0.610 18.2-143.0 -97.5 167.8 1.6 -14.0 -6.0 99 99 A T > - 0 0 28 -2,-0.2 3,-1.0 5,-0.1 2,-0.1 -0.991 20.2-127.4-132.4 140.8 -0.4 -10.7 -6.1 100 100 A H G > S+ 0 0 66 -2,-0.3 -96,-0.7 1,-0.2 3,-0.5 0.118 88.7 98.1 -74.0 21.5 -0.3 -7.9 -3.5 101 101 A L G 3 S+ 0 0 3 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.914 74.7 57.5 -74.1 -44.4 -4.2 -8.1 -3.4 102 102 A L G < S- 0 0 2 -3,-1.0 2,-0.5 1,-0.2 -1,-0.2 0.079 121.2-107.5 -73.2 23.8 -4.3 -10.2 -0.2 103 103 A G S < S+ 0 0 16 -3,-0.5 -1,-0.2 -2,-0.4 -99,-0.1 -0.750 95.1 24.6 77.3-128.5 -2.3 -7.4 1.5 104 104 A D S S- 0 0 88 -2,-0.5 -5,-0.1 1,-0.2 -14,-0.1 -0.216 118.6 -62.9 -61.6 159.4 1.2 -8.7 2.0 105 105 A N - 0 0 91 -7,-0.1 -15,-0.2 1,-0.1 -1,-0.2 -0.208 59.5-144.6 -54.6 118.3 2.5 -11.4 -0.4 106 106 A P - 0 0 1 0, 0.0 -15,-0.3 0, 0.0 2,-0.1 -0.314 17.1-106.1 -72.0 165.5 0.3 -14.6 0.0 107 107 A R E -e 91 0A 86 -17,-2.9 -15,-1.6 -9,-0.1 2,-0.4 -0.377 40.7-106.3 -74.7 170.4 1.6 -18.2 -0.3 108 108 A W E -e 92 0A 105 -17,-0.2 -15,-0.2 -2,-0.1 -13,-0.1 -0.879 9.2-147.4-110.8 132.9 0.6 -20.2 -3.5 109 109 A L - 0 0 22 -17,-2.8 -14,-0.2 -2,-0.4 -16,-0.1 0.652 33.2-136.5 -71.6 -17.1 -2.0 -23.0 -3.5 110 110 A G S S+ 0 0 26 -16,-2.5 2,-0.2 -18,-0.3 -15,-0.2 0.164 73.2 56.4 87.1 -15.4 -0.0 -24.7 -6.3 111 111 A F S S- 0 0 92 -17,-0.3 -17,-1.0 1,-0.2 -2,-0.2 -0.769 80.5-108.2-136.1 175.5 -3.1 -25.6 -8.4 112 112 A G - 0 0 14 -2,-0.2 -1,-0.2 -19,-0.1 -18,-0.1 0.191 41.9 -98.8 -83.4-151.7 -6.2 -24.0 -10.1 113 113 A G S S+ 0 0 16 -20,-0.1 2,-0.3 86,-0.0 -33,-0.1 -0.433 79.9 84.8-137.4 60.9 -9.8 -24.4 -8.9 114 114 A R S >> S- 0 0 101 1,-0.0 3,-1.9 10,-0.0 4,-0.8 -0.963 87.0 -91.9-150.5 173.3 -11.6 -27.1 -10.9 115 115 A Y H 3>>S+ 0 0 44 1,-0.3 4,-2.6 -2,-0.3 5,-2.2 0.782 115.9 70.3 -58.6 -30.4 -12.2 -30.9 -11.2 116 116 A Q H 345S+ 0 0 133 1,-0.2 -1,-0.3 3,-0.2 5,-0.1 0.777 98.5 51.3 -59.8 -27.0 -9.1 -31.2 -13.5 117 117 A D H <45S+ 0 0 47 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.921 118.9 32.2 -71.8 -49.9 -7.0 -30.5 -10.4 118 118 A L H <5S- 0 0 47 -4,-0.8 -2,-0.2 37,-0.1 -3,-0.1 0.923 142.0 -10.5 -79.1 -50.6 -8.4 -33.1 -8.1 119 119 A I T <5 - 0 0 76 -4,-2.6 2,-2.1 3,-0.2 3,-0.4 0.644 63.5-166.7-131.3 -32.7 -9.5 -36.1 -10.3 120 120 A G S S+ 0 0 8 1,-0.2 3,-2.0 -2,-0.1 66,-0.2 0.536 93.8 91.8 -76.9 -13.2 -16.6 -33.1 -9.1 125 125 A E T 3 + 0 0 40 1,-0.3 65,-0.5 64,-0.1 -1,-0.2 0.725 68.3 70.5 -68.7 -17.9 -20.3 -33.8 -9.0 126 126 A T T 3 S+ 0 0 84 -3,-0.4 2,-0.3 63,-0.1 -1,-0.3 0.633 73.9 108.0 -66.4 -17.0 -20.0 -36.8 -6.7 127 127 A V S < S- 0 0 37 -3,-2.0 63,-0.6 1,-0.1 2,-0.2 -0.500 70.2-133.4 -69.2 124.1 -19.1 -34.5 -3.8 128 128 A T E -H 189 0C 58 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.537 17.0-154.7 -68.4 143.7 -21.9 -34.2 -1.2 129 129 A M E +H 188 0C 1 59,-2.9 59,-2.5 -2,-0.2 2,-0.3 -0.958 36.2 116.6-117.0 138.9 -22.7 -30.6 -0.1 130 130 A G S > S- 0 0 6 -2,-0.4 4,-2.5 57,-0.2 52,-0.2 -0.947 75.5 -76.1 174.9 173.1 -24.3 -30.0 3.3 131 131 A R H > S+ 0 0 91 51,-1.4 4,-2.7 53,-0.6 5,-0.2 0.899 126.6 49.8 -54.3 -43.9 -23.9 -28.4 6.8 132 132 A A H > S+ 0 0 55 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.928 111.8 46.3 -63.9 -48.6 -21.5 -31.2 7.9 133 133 A E H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 112.7 50.8 -70.1 -31.7 -19.3 -31.1 4.9 134 134 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.982 113.7 44.0 -63.8 -54.2 -19.1 -27.2 5.1 135 135 A T H X S+ 0 0 18 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.948 116.1 47.8 -56.1 -50.1 -18.1 -27.4 8.8 136 136 A R H X S+ 0 0 153 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.917 112.5 49.7 -52.4 -51.0 -15.6 -30.3 8.1 137 137 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.923 110.9 48.5 -58.2 -47.6 -14.2 -28.3 5.1 138 138 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.930 115.0 45.8 -59.7 -45.1 -13.8 -25.1 7.2 139 139 A N H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.944 111.9 51.5 -58.8 -49.5 -12.0 -27.2 10.0 140 140 A D H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 115.2 41.9 -66.3 -26.0 -9.9 -29.0 7.4 141 141 A L H >< S+ 0 0 2 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.813 111.6 55.2 -85.4 -35.4 -8.7 -25.7 5.9 142 142 A A H 3< S+ 0 0 15 -4,-2.4 -55,-0.2 1,-0.2 -2,-0.2 0.858 99.7 60.6 -67.8 -34.9 -8.3 -24.0 9.3 143 143 A K T 3< S+ 0 0 128 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 0.522 84.1 114.2 -68.8 -8.0 -5.9 -26.7 10.5 144 144 A K < + 0 0 26 -3,-1.1 -57,-0.2 -5,-0.2 2,-0.2 -0.278 40.0 176.4 -64.2 154.8 -3.5 -25.9 7.6 145 145 A K - 0 0 145 2,-0.2 -2,-0.0 -60,-0.0 -1,-0.0 -0.760 56.6 -71.2-138.3-176.7 0.0 -24.4 8.2 146 146 A K S S+ 0 0 146 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.785 126.7 30.6 -52.7 -32.3 2.9 -23.5 5.8 147 147 A M S S+ 0 0 141 4,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.976 71.6 157.1-125.6 140.6 3.4 -27.3 5.4 148 148 A L - 0 0 56 -2,-0.3 3,-0.3 1,-0.1 -4,-0.1 -0.943 36.0-136.6-157.7 149.4 0.7 -30.0 5.6 149 149 A E S S+ 0 0 161 -2,-0.3 2,-2.4 1,-0.2 3,-0.3 0.953 91.7 63.6 -78.4 -52.0 0.5 -33.6 4.2 150 150 A P > + 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.270 58.7 148.0 -75.9 59.5 -3.2 -33.9 2.8 151 151 A Q H > S+ 0 0 104 -2,-2.4 4,-2.4 -3,-0.3 5,-0.1 0.952 73.4 44.8 -56.5 -51.7 -2.7 -31.1 0.1 152 152 A A H > S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.829 113.7 51.6 -64.6 -33.2 -5.2 -32.8 -2.4 153 153 A D H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.956 111.1 44.7 -71.2 -50.3 -7.7 -33.4 0.5 154 154 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 113.1 55.1 -60.4 -36.8 -7.7 -29.8 1.7 155 155 A K H X S+ 0 0 10 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.931 105.7 49.1 -61.0 -47.9 -7.9 -28.8 -1.9 156 156 A S H X S+ 0 0 38 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.931 109.3 54.6 -62.4 -38.6 -11.1 -30.9 -2.6 157 157 A K H X S+ 0 0 46 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.936 109.4 46.0 -57.0 -48.0 -12.7 -29.4 0.6 158 158 A L H X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.851 105.6 61.8 -68.8 -27.5 -12.1 -25.8 -0.8 159 159 A V H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.943 106.3 45.2 -61.6 -44.4 -13.5 -26.9 -4.2 160 160 A K H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.939 112.5 52.2 -65.7 -38.8 -16.9 -27.7 -2.6 161 161 A L H X S+ 0 0 11 -4,-1.9 4,-3.1 1,-0.2 5,-0.5 0.942 110.6 46.6 -61.6 -46.5 -16.8 -24.4 -0.7 162 162 A V H <>S+ 0 0 11 -4,-2.8 5,-2.4 1,-0.2 4,-0.4 0.932 113.8 48.0 -63.8 -42.1 -16.1 -22.3 -3.8 163 163 A V H <5S+ 0 0 6 -4,-2.2 5,-0.4 -5,-0.2 -1,-0.2 0.888 119.4 40.2 -66.2 -36.1 -18.9 -24.0 -5.8 164 164 A M H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 4,-0.2 0.961 130.9 22.0 -72.4 -54.7 -21.3 -23.6 -2.9 165 165 A V T X5S+ 0 0 10 -4,-3.1 4,-1.2 -5,-0.2 -3,-0.2 0.984 129.6 31.9 -81.8 -68.4 -20.4 -20.0 -1.8 166 166 A C H >>5S+ 0 0 3 -5,-0.5 4,-0.8 -4,-0.4 3,-0.8 0.939 123.0 43.8 -69.7 -50.1 -18.7 -18.1 -4.6 167 167 A E H >> S+ 0 0 44 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.839 90.7 64.5 -54.9 -33.9 -29.1 -18.8 -8.5 173 173 A T H > S+ 0 0 10 63,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.969 108.1 35.7 -57.5 -56.2 -29.1 -22.6 -9.5 174 174 A V H > S+ 0 0 2 62,-0.3 4,-2.9 2,-0.2 5,-0.3 0.908 115.5 59.1 -71.7 -31.1 -26.3 -23.6 -7.1 175 175 A S H X S+ 0 0 4 -4,-2.4 4,-2.8 -7,-0.3 -2,-0.2 0.971 110.8 39.5 -53.1 -59.7 -27.6 -21.1 -4.6 176 176 A R H X S+ 0 0 117 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.840 113.8 55.6 -66.4 -30.8 -31.1 -22.8 -4.5 177 177 A T H X S+ 0 0 24 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.968 114.2 39.6 -59.7 -53.2 -29.4 -26.3 -4.6 178 178 A V H X S+ 0 0 1 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.879 110.8 60.7 -66.0 -35.4 -27.3 -25.4 -1.5 179 179 A D H X S+ 0 0 54 -4,-2.8 4,-0.8 -5,-0.3 -2,-0.2 0.937 113.3 35.0 -58.9 -49.0 -30.4 -23.7 0.1 180 180 A A H < S+ 0 0 77 -4,-2.2 4,-0.3 1,-0.1 -1,-0.2 0.811 125.6 43.6 -69.7 -32.7 -32.4 -26.9 0.1 181 181 A G H >< S+ 0 0 3 -4,-1.8 3,-0.8 -5,-0.2 6,-0.3 0.839 101.1 62.4 -89.1 -36.6 -29.4 -29.1 0.8 182 182 A F H 3< S+ 0 0 18 -4,-3.4 -51,-1.4 1,-0.3 -50,-0.2 0.905 105.1 48.5 -59.3 -45.6 -27.4 -27.2 3.5 183 183 A N T 3< S+ 0 0 103 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.665 96.1 95.0 -72.1 -17.8 -30.3 -27.5 6.0 184 184 A S S < S- 0 0 45 -3,-0.8 -53,-0.6 -4,-0.3 4,-0.1 -0.332 73.1-138.7 -69.4 156.2 -30.6 -31.3 5.3 185 185 A Q S S+ 0 0 179 1,-0.1 -53,-0.1 2,-0.1 -1,-0.1 0.814 107.3 43.3 -79.4 -34.7 -28.9 -34.0 7.4 186 186 A H S S- 0 0 159 1,-0.2 -1,-0.1 -54,-0.0 2,-0.1 0.653 101.3-148.3 -81.5 -17.0 -28.0 -36.0 4.3 187 187 A G - 0 0 16 -6,-0.3 2,-0.3 -7,-0.1 -57,-0.2 -0.390 22.1 -87.4 71.8-163.7 -26.9 -32.9 2.3 188 188 A V E -H 129 0C 46 -59,-2.5 -59,-2.9 -2,-0.1 2,-0.4 -0.957 24.3-138.6-138.9 158.8 -27.4 -32.9 -1.5 189 189 A T E -H 128 0C 78 -2,-0.3 -61,-0.2 -61,-0.2 -63,-0.1 -0.974 21.4-139.6-122.4 128.2 -25.3 -34.2 -4.5 190 190 A L - 0 0 12 -63,-0.6 2,-0.3 -65,-0.5 3,-0.0 -0.089 15.3-120.4 -75.8-176.5 -25.1 -32.0 -7.7 191 191 A T > - 0 0 64 1,-0.1 4,-2.7 -65,-0.0 5,-0.1 -0.821 26.5-103.0-125.7 164.7 -25.1 -33.2 -11.3 192 192 A V H > S+ 0 0 83 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 0.877 118.7 57.9 -55.0 -42.6 -22.6 -32.9 -14.3 193 193 A T H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 113.0 37.9 -56.0 -53.6 -24.8 -30.1 -15.9 194 194 A Q H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.952 114.0 56.5 -63.8 -51.1 -24.5 -27.9 -12.8 195 195 A G H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.883 116.6 32.9 -52.4 -51.2 -20.9 -28.8 -12.0 196 196 A K H X S+ 0 0 118 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.920 116.1 54.9 -74.3 -43.7 -19.5 -27.8 -15.4 197 197 A Q H < S+ 0 0 13 -4,-2.2 7,-0.2 -5,-0.4 -2,-0.2 0.852 106.9 49.9 -65.2 -35.7 -21.8 -24.9 -16.2 198 198 A V H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.976 111.6 45.6 -67.8 -51.4 -21.1 -22.9 -13.0 199 199 A Q H 3< S+ 0 0 59 -4,-1.1 2,-0.6 -5,-0.3 3,-0.3 0.808 107.6 60.0 -65.2 -28.8 -17.3 -23.0 -13.2 200 200 A K T >X + 0 0 119 -4,-1.7 3,-1.7 1,-0.2 4,-0.7 -0.305 62.5 148.8 -93.8 51.7 -17.4 -22.1 -16.9 201 201 A W H <> + 0 0 17 -3,-0.7 4,-2.9 -2,-0.6 40,-0.3 0.744 61.7 74.0 -58.9 -21.4 -19.2 -18.7 -16.2 202 202 A D H 3> S+ 0 0 71 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.903 92.7 54.5 -56.0 -38.5 -17.3 -17.3 -19.2 203 203 A R H <> S+ 0 0 82 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.883 109.9 46.2 -64.6 -39.3 -19.8 -19.4 -21.3 204 204 A I H X S+ 0 0 6 -4,-0.7 4,-3.0 -7,-0.2 5,-0.3 0.958 110.2 53.7 -63.5 -51.4 -22.7 -17.6 -19.5 205 205 A S H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.754 113.1 42.4 -65.4 -25.9 -21.1 -14.2 -19.9 206 206 A K H X S+ 0 0 63 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.895 115.1 50.7 -78.0 -41.9 -20.8 -14.7 -23.7 207 207 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 108.3 50.6 -61.7 -49.1 -24.3 -16.2 -24.0 208 208 A A H < S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.1 0.871 114.1 45.7 -57.3 -41.0 -26.0 -13.4 -22.1 209 209 A F H >X S+ 0 0 18 -4,-0.7 3,-1.8 -5,-0.3 4,-0.7 0.902 110.0 52.2 -70.0 -42.3 -24.3 -10.8 -24.3 210 210 A E H 3X S+ 0 0 56 -4,-2.6 4,-0.8 1,-0.3 -2,-0.2 0.892 110.7 49.9 -63.7 -34.2 -25.1 -12.7 -27.6 211 211 A W H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.435 94.8 82.1 -73.6 -4.5 -28.8 -12.7 -26.3 212 212 A A H <4 S+ 0 0 12 -3,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.994 101.6 24.9 -68.9 -62.8 -28.5 -8.9 -25.7 213 213 A D H < S+ 0 0 123 -4,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.781 127.4 50.3 -75.7 -26.6 -29.2 -7.5 -29.2 214 214 A H >< - 0 0 100 -4,-0.8 3,-1.3 1,-0.1 -1,-0.2 -0.892 68.9-172.4-114.5 96.2 -31.1 -10.6 -30.4 215 215 A P T 3 S+ 0 0 90 0, 0.0 15,-0.3 0, 0.0 -1,-0.1 0.582 85.0 37.0 -71.8 -10.4 -33.8 -11.3 -27.7 216 216 A T T 3 S+ 0 0 132 13,-0.1 -5,-0.1 14,-0.1 -2,-0.0 0.009 85.1 135.6-130.2 22.0 -34.9 -14.7 -29.3 217 217 A A < - 0 0 29 -3,-1.3 2,-0.4 -6,-0.1 13,-0.2 -0.280 49.4-134.3 -61.9 161.9 -31.5 -16.1 -30.5 218 218 A V - 0 0 91 11,-0.1 10,-0.1 12,-0.0 11,-0.1 -0.975 16.0-160.2-119.9 131.9 -30.6 -19.7 -30.0 219 219 A I >> - 0 0 0 -2,-0.4 4,-2.5 8,-0.2 3,-0.9 -0.955 10.6-158.9-121.2 109.0 -27.0 -20.3 -28.7 220 220 A P H 3> S+ 0 0 87 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.819 92.4 61.9 -62.1 -28.5 -25.6 -23.8 -29.2 221 221 A D H 34 S+ 0 0 48 1,-0.2 4,-0.1 2,-0.2 3,-0.1 0.882 115.6 30.3 -57.3 -44.5 -23.0 -23.1 -26.4 222 222 A M H X4>S+ 0 0 2 -3,-0.9 3,-1.7 1,-0.2 5,-1.3 0.778 105.1 73.2 -95.2 -27.7 -25.8 -22.7 -23.8 223 223 A Q H ><5S+ 0 0 102 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.793 83.7 72.2 -57.1 -29.4 -28.4 -25.1 -25.4 224 224 A K T 3<5S+ 0 0 166 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.808 96.4 50.1 -57.3 -31.7 -26.2 -28.1 -24.2 225 225 A L T < 5S- 0 0 38 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.303 127.0-100.9 -86.8 4.4 -27.3 -27.3 -20.6 226 226 A G T < 5S+ 0 0 57 -3,-2.2 2,-1.3 1,-0.2 -3,-0.2 0.463 87.6 130.2 83.8 4.5 -31.0 -27.2 -21.6 227 227 A I < + 0 0 2 -5,-1.3 -8,-0.2 1,-0.2 -2,-0.2 -0.683 14.0 149.0 -96.5 81.0 -30.8 -23.4 -21.6 228 228 A K + 0 0 118 -2,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.545 59.4 57.7 -85.6 -10.7 -32.3 -22.5 -25.0 229 229 A D S > S- 0 0 67 -3,-0.2 4,-2.1 -7,-0.1 3,-0.2 -0.955 74.8-133.6-127.9 143.3 -33.7 -19.1 -23.8 230 230 A K H > S+ 0 0 54 -2,-0.3 4,-3.0 -15,-0.3 5,-0.1 0.834 112.0 59.2 -61.3 -31.0 -32.2 -16.0 -22.2 231 231 A N H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 105.0 48.3 -61.3 -44.2 -35.1 -16.2 -19.7 232 232 A E H > S+ 0 0 51 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.918 112.5 49.2 -64.4 -41.8 -33.9 -19.6 -18.6 233 233 A A H >X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 3,-1.7 0.966 108.8 52.4 -58.7 -52.6 -30.3 -18.2 -18.3 234 234 A A H 3< S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.823 110.4 47.1 -58.4 -36.4 -31.5 -15.2 -16.2 235 235 A R H 3< S+ 0 0 134 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.513 117.9 43.7 -82.3 -6.8 -33.4 -17.5 -13.7 236 236 A I H << S+ 0 0 17 -3,-1.7 -63,-2.6 -4,-0.6 -62,-0.3 0.763 118.0 40.7 -99.6 -41.6 -30.3 -19.9 -13.5 237 237 A V < - 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