==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-12 4HZS . COMPND 2 MOLECULE: ACTIVATED CDC42 KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.S.GAJIWALA . 1276 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 837 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 75 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 4 0 4 4 0 4 7 1 0 0 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 13 1 12 12 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 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 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 1 115 A Q 0 0 147 0, 0.0 2,-0.3 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 142.0 -22.4 -13.1 -3.6 2 116 A S - 0 0 96 59,-0.1 2,-0.0 60,-0.0 56,-0.0 -0.945 360.0 -78.2-142.7 162.9 -24.7 -16.1 -3.4 3 117 A L - 0 0 27 -2,-0.3 3,-0.3 1,-0.2 59,-0.1 -0.279 22.1-169.6 -66.5 138.3 -25.3 -19.1 -1.1 4 118 A T S S+ 0 0 99 57,-0.2 2,-0.9 1,-0.2 -1,-0.2 0.878 89.1 44.1 -75.4 -48.7 -23.1 -22.2 -1.1 5 119 A C S S+ 0 0 8 2,-0.0 76,-2.0 75,-0.0 2,-0.3 -0.557 72.9 159.5-108.5 64.9 -25.5 -24.1 1.1 6 120 A L B -a 81 0A 102 -2,-0.9 2,-0.4 -3,-0.3 76,-0.2 -0.674 21.5-159.1 -88.2 142.9 -29.0 -23.5 -0.1 7 121 A I - 0 0 9 74,-2.1 2,-0.3 -2,-0.3 76,-0.3 -0.989 15.2-127.0-126.0 129.6 -31.7 -26.0 1.0 8 122 A G > - 0 0 28 -2,-0.4 3,-3.5 1,-0.1 4,-0.2 -0.581 16.3-125.5 -84.2 133.9 -34.9 -26.4 -0.9 9 123 A E G > S+ 0 0 81 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.780 108.7 64.7 -39.5 -38.4 -38.2 -26.2 1.0 10 124 A K G 3 S+ 0 0 171 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.640 99.7 52.6 -64.6 -16.5 -39.2 -29.6 -0.5 11 125 A D G < S+ 0 0 35 -3,-3.5 21,-2.5 1,-0.1 2,-0.5 0.315 97.2 76.1-105.6 8.8 -36.3 -31.3 1.4 12 126 A L E < -B 31 0A 7 -3,-1.6 2,-0.4 -4,-0.2 19,-0.2 -0.954 51.5-177.9-131.1 117.3 -37.1 -30.0 4.9 13 127 A R E -B 30 0A 43 17,-2.5 17,-2.0 -2,-0.5 2,-0.5 -0.927 18.9-140.9-111.7 135.4 -39.9 -31.2 7.2 14 128 A L E +B 29 0A 51 -2,-0.4 15,-0.3 15,-0.2 14,-0.1 -0.815 22.6 173.3-100.9 129.1 -40.4 -29.6 10.6 15 129 A L - 0 0 10 13,-2.2 -1,-0.1 -2,-0.5 14,-0.1 0.350 44.0 -29.7-101.5-126.4 -41.3 -31.6 13.7 16 130 A E - 0 0 12 1,-0.1 2,-0.3 664,-0.1 -1,-0.1 0.524 69.7 -82.5 -76.8-144.9 -41.7 -30.5 17.4 17 131 A K - 0 0 67 10,-0.2 10,-0.3 1,-0.1 663,-0.2 -0.952 25.5-173.7-126.7 150.4 -40.0 -27.8 19.4 18 132 A L - 0 0 83 8,-3.0 2,-0.3 1,-0.5 9,-0.2 0.448 56.1 -84.5-121.8 -6.4 -36.6 -27.9 21.1 19 133 A G B -C 26 0A 26 7,-0.8 7,-1.5 2,-0.0 -1,-0.5 -0.919 56.6 -50.4 135.2-161.7 -36.6 -24.6 23.0 20 134 A D - 0 0 115 -2,-0.3 5,-0.1 5,-0.2 2,-0.1 -0.838 32.1-161.5-178.3 138.7 -35.8 -21.0 22.3 21 135 A G > - 0 0 39 3,-0.5 3,-1.8 -2,-0.2 -2,-0.0 -0.269 33.0-129.1 132.0 76.3 -33.9 -19.2 21.4 22 136 A S T 3 S+ 0 0 108 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.866 114.7 46.5 -60.6 -37.0 -32.6 -15.7 21.1 23 137 A F T 3 S- 0 0 16 1,-0.2 2,-0.4 23,-0.0 -1,-0.3 0.120 129.5 -80.7 -95.0 20.8 -32.6 -15.8 17.3 24 138 A G S < S- 0 0 12 -3,-1.8 -3,-0.5 22,-0.1 2,-0.4 -0.920 75.9 -19.5 123.7-145.9 -36.1 -17.3 17.1 25 139 A V E - D 0 45A 53 20,-1.6 20,-2.7 -2,-0.4 2,-0.5 -0.881 47.1-151.5-113.7 136.8 -37.5 -20.7 17.5 26 140 A V E +CD 19 44A 27 -7,-1.5 -8,-3.0 -2,-0.4 -7,-0.8 -0.911 18.6 174.5-109.9 126.3 -35.7 -24.0 17.3 27 141 A R E - D 0 43A 33 16,-2.3 16,-2.7 -2,-0.5 -10,-0.2 -0.941 32.2-115.4-126.2 147.0 -37.6 -27.2 16.1 28 142 A R E + D 0 42A 74 -2,-0.3 -13,-2.2 14,-0.2 2,-0.3 -0.296 46.6 163.1 -66.5 167.6 -36.3 -30.7 15.4 29 143 A G E -BD 14 41A 0 12,-1.2 12,-2.3 -15,-0.3 2,-0.4 -0.976 37.2-112.0-175.1 168.9 -36.8 -31.7 11.8 30 144 A E E -BD 13 40A 37 -17,-2.0 -17,-2.5 -2,-0.3 2,-0.4 -0.969 26.8-164.3-120.5 136.5 -35.8 -34.2 9.0 31 145 A W E -BD 12 39A 27 8,-2.3 8,-2.8 -2,-0.4 2,-1.0 -0.967 16.6-137.8-127.3 132.2 -33.7 -33.1 6.0 32 146 A D E - D 0 38A 38 -21,-2.5 6,-0.2 -2,-0.4 5,-0.0 -0.768 29.0-148.9 -94.9 101.3 -33.3 -35.0 2.8 33 147 A A > - 0 0 11 4,-2.4 3,-2.1 -2,-1.0 -26,-0.0 -0.253 22.4-123.9 -73.8 152.1 -29.6 -34.7 1.8 34 148 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.624 113.2 70.0 -64.1 -15.7 -28.1 -34.6 -1.7 35 149 A S T 3 S- 0 0 104 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.547 120.7-112.4 -76.1 -10.3 -26.1 -37.5 -0.5 36 150 A G S < S+ 0 0 70 -3,-2.1 2,-0.2 1,-0.3 -4,-0.0 0.210 78.3 111.0 104.8 -15.0 -29.4 -39.4 -0.6 37 151 A K - 0 0 158 -5,-0.0 -4,-2.4 1,-0.0 2,-0.5 -0.512 68.6-118.6 -91.7 157.2 -30.0 -39.9 3.2 38 152 A T E -D 32 0A 68 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.860 37.3-164.2 -86.2 127.7 -32.5 -38.5 5.6 39 153 A V E -D 31 0A 38 -8,-2.8 -8,-2.3 -2,-0.5 2,-0.6 -0.913 21.6-120.3-118.3 142.7 -30.6 -36.7 8.3 40 154 A S E +D 30 0A 53 -2,-0.4 2,-0.3 -10,-0.2 53,-0.3 -0.715 44.3 176.3 -85.5 121.1 -31.8 -35.6 11.7 41 155 A V E -D 29 0A 0 -12,-2.3 -12,-1.2 -2,-0.6 2,-0.4 -0.890 31.8-131.8-131.2 150.1 -31.4 -31.9 11.9 42 156 A A E -DE 28 91A 12 49,-2.2 49,-2.7 50,-0.6 2,-0.5 -0.887 28.6-154.4-104.4 139.1 -32.1 -29.0 14.2 43 157 A V E -DE 27 90A 0 -16,-2.7 -16,-2.3 -2,-0.4 2,-0.4 -0.927 10.4-157.3-129.5 113.7 -33.8 -26.0 12.6 44 158 A K E -DE 26 89A 19 45,-2.0 45,-1.8 -2,-0.5 2,-0.5 -0.734 12.1-156.3 -89.6 132.0 -33.8 -22.4 13.6 45 159 A C E -DE 25 88A 23 -20,-2.7 -20,-1.6 -2,-0.4 43,-0.2 -0.935 10.1-146.0-111.3 124.8 -36.7 -20.3 12.3 46 160 A L - 0 0 11 41,-2.6 41,-0.2 -2,-0.5 -22,-0.1 -0.523 23.0-100.1 -92.4 156.0 -36.2 -16.6 12.0 47 161 A K - 0 0 111 -2,-0.2 2,-0.4 -24,-0.2 -1,-0.1 -0.537 64.3 -59.9 -80.8 137.0 -38.8 -13.8 12.5 48 162 A P S S- 0 0 119 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.379 97.1 -57.4 -62.1 107.6 -40.5 -12.3 9.4 49 163 A D + 0 0 47 -2,-0.4 38,-0.1 2,-0.2 -3,-0.1 -0.979 67.0 149.5-147.7 -2.2 -38.3 -11.2 8.1 50 164 A V + 0 0 117 2,-0.1 -3,-0.2 -2,-0.1 2,-0.1 -0.210 69.4 82.2 -38.4 115.5 -35.4 -8.8 8.7 51 165 A L + 0 0 5 2,-0.1 -2,-0.2 -3,-0.0 6,-0.0 0.060 66.2 110.1 -63.7 132.6 -33.1 -9.5 7.1 52 166 A S + 0 0 72 -2,-0.1 5,-0.1 1,-0.1 -2,-0.1 0.316 45.3 97.0-145.0 -32.0 -34.9 -7.7 4.3 53 167 A Q S > S- 0 0 56 1,-0.1 4,-0.7 3,-0.1 3,-0.4 -0.481 87.2-115.4 -64.1 132.5 -32.8 -4.6 3.9 54 168 A P H > S+ 0 0 106 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.590 112.0 42.0 -56.7 -19.4 -30.3 -5.3 1.0 55 169 A E H > S+ 0 0 142 2,-0.2 4,-2.7 1,-0.1 5,-0.3 0.858 104.9 61.6 -89.4 -44.4 -27.2 -5.2 3.1 56 170 A A H 4 S+ 0 0 31 -3,-0.4 4,-0.5 1,-0.3 -1,-0.1 0.592 109.8 48.0 -56.5 -8.2 -28.6 -7.1 6.0 57 171 A M H X S+ 0 0 51 -4,-0.7 4,-2.2 2,-0.1 -1,-0.3 0.775 108.0 48.6-101.2 -38.5 -28.9 -9.8 3.4 58 172 A D H X S+ 0 0 71 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.808 112.8 50.5 -74.6 -27.5 -25.5 -9.7 1.8 59 173 A D H X S+ 0 0 60 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.958 108.0 53.3 -66.5 -52.8 -23.9 -9.8 5.3 60 174 A F H > S+ 0 0 1 -4,-0.5 4,-2.8 -5,-0.3 -2,-0.2 0.931 113.3 42.4 -46.3 -56.0 -26.0 -12.7 6.2 61 175 A I H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.915 111.6 52.8 -62.0 -46.2 -24.9 -14.7 3.2 62 176 A R H X S+ 0 0 109 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.887 115.3 44.2 -56.5 -38.3 -21.2 -13.6 3.5 63 177 A E H X S+ 0 0 9 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.876 113.1 49.2 -75.2 -40.9 -21.4 -14.9 7.1 64 178 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 -5,-0.3 5,-0.3 0.938 108.6 50.5 -66.6 -49.7 -23.3 -18.1 6.3 65 179 A N H X S+ 0 0 32 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.888 110.6 55.5 -51.8 -36.0 -21.0 -19.3 3.5 66 180 A A H < S+ 0 0 34 -4,-0.9 4,-0.3 -5,-0.4 -1,-0.2 0.914 112.6 38.8 -63.2 -44.7 -18.3 -18.6 6.1 67 181 A M H >< S+ 0 0 13 -4,-1.7 3,-2.1 1,-0.2 11,-0.3 0.923 109.0 59.4 -72.2 -45.9 -19.9 -20.9 8.6 68 182 A H H 3< S+ 0 0 63 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 103.3 55.9 -59.6 -19.4 -21.0 -23.6 6.3 69 183 A S T 3< S+ 0 0 88 -4,-0.9 2,-0.3 -5,-0.3 -1,-0.3 0.596 84.6 95.9 -93.1 -11.7 -17.3 -24.0 5.3 70 184 A L < + 0 0 12 -3,-2.1 2,-0.4 -4,-0.3 8,-0.3 -0.635 51.7 179.9 -77.2 133.4 -16.0 -24.6 8.8 71 185 A D + 0 0 103 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.910 16.6 131.8-142.9 117.3 -15.6 -28.3 9.6 72 186 A H > - 0 0 43 -2,-0.4 3,-2.0 3,-0.3 53,-0.0 -0.984 57.8-114.3-161.7 146.8 -14.3 -29.8 12.9 73 187 A R T 3 S+ 0 0 154 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.804 114.0 50.0 -58.1 -32.2 -15.4 -32.5 15.4 74 188 A N T 3 S+ 0 0 1 79,-0.1 80,-3.4 47,-0.1 2,-0.5 0.317 97.1 85.4 -92.6 9.6 -16.1 -30.0 18.2 75 189 A L B < S-g 154 0B 6 -3,-2.0 2,-0.4 78,-0.3 -3,-0.3 -0.942 80.7-123.5-113.0 130.2 -18.3 -27.7 16.1 76 190 A I - 0 0 10 78,-3.1 81,-0.1 -2,-0.5 80,-0.1 -0.588 41.8-122.1 -65.4 121.0 -22.0 -28.1 15.5 77 191 A R - 0 0 110 -2,-0.4 15,-3.3 -4,-0.1 2,-0.7 -0.316 8.9-139.2 -73.5 144.8 -22.2 -28.2 11.7 78 192 A L E - F 0 91A 6 -8,-0.3 13,-0.3 -11,-0.3 3,-0.1 -0.928 20.0-178.1 -99.0 113.3 -24.3 -25.8 9.6 79 193 A Y E - 0 0 38 11,-2.1 2,-0.3 -2,-0.7 12,-0.2 0.869 53.1 -61.9 -82.9 -37.5 -25.8 -27.9 6.8 80 194 A G E - F 0 90A 0 10,-1.8 10,-1.9 -73,-0.0 2,-0.3 -0.984 43.1-109.4 174.9-171.7 -27.6 -25.2 5.0 81 195 A V E -aF 6 89A 0 -76,-2.0 -74,-2.1 -2,-0.3 2,-0.5 -0.987 17.7-130.0-150.8 154.1 -30.2 -22.4 5.0 82 196 A V E - F 0 88A 0 6,-2.3 6,-0.8 -2,-0.3 -74,-0.1 -0.931 15.5-177.6-117.5 123.0 -33.6 -21.7 3.4 83 197 A L + 0 0 63 -2,-0.5 -1,-0.1 -76,-0.3 4,-0.1 0.881 59.5 91.4 -89.4 -44.4 -34.4 -18.5 1.6 84 198 A T S S- 0 0 75 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.394 97.7 -74.9 -54.0 104.2 -38.1 -18.9 0.6 85 199 A P S S+ 0 0 87 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.063 117.6 57.2 -58.6 148.5 -39.6 -17.2 3.7 86 200 A P S S- 0 0 68 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 0.473 94.1-134.2 -71.9 149.0 -40.1 -18.0 6.5 87 201 A M - 0 0 2 -41,-0.2 -41,-2.6 -2,-0.1 2,-0.3 -0.530 23.1-168.9 -86.6 137.6 -36.3 -18.5 6.7 88 202 A K E -EF 45 82A 14 -6,-0.8 -6,-2.3 -2,-0.3 2,-0.4 -0.826 15.5-148.2-121.7 158.3 -34.8 -21.5 8.3 89 203 A M E -EF 44 81A 5 -45,-1.8 -45,-2.0 -2,-0.3 2,-0.9 -0.930 14.9-152.5-131.0 108.1 -31.2 -22.4 9.4 90 204 A V E +EF 43 80A 0 -10,-1.9 -11,-2.1 -2,-0.4 -10,-1.8 -0.701 24.9 166.9 -92.7 107.7 -30.5 -26.1 9.2 91 205 A T E -EF 42 78A 30 -49,-2.7 -49,-2.2 -2,-0.9 -13,-0.2 -0.724 41.7 -85.4-113.3 164.2 -27.8 -27.2 11.6 92 206 A E - 0 0 39 -15,-3.3 -50,-0.6 -2,-0.2 2,-0.4 0.043 45.9-129.3 -46.9 171.3 -26.4 -30.5 13.0 93 207 A L - 0 0 42 -53,-0.3 -53,-0.1 -52,-0.2 3,-0.1 -0.963 10.4-155.1-137.4 122.3 -28.3 -31.9 15.9 94 208 A A - 0 0 15 -2,-0.4 3,-0.4 1,-0.1 53,-0.2 -0.840 12.7-149.7 -89.1 126.6 -26.9 -33.2 19.2 95 209 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.867 90.2 54.1 -63.1 -37.3 -29.3 -35.7 20.7 96 210 A L S S- 0 0 64 50,-1.3 51,-0.1 51,-0.4 2,-0.1 0.642 93.7-149.6 -84.6 -18.7 -28.4 -34.9 24.3 97 211 A G + 0 0 19 49,-0.5 49,-2.3 -3,-0.4 -1,-0.2 -0.393 48.6 6.8 92.1-165.4 -29.0 -31.1 24.4 98 212 A S B > -H 145 0B 25 47,-0.2 4,-1.2 1,-0.2 47,-0.2 -0.233 48.6-149.1 -52.7 137.3 -27.4 -28.3 26.4 99 213 A L H > S+ 0 0 0 45,-2.9 4,-1.9 42,-0.5 -1,-0.2 0.822 105.3 57.6 -68.8 -31.8 -24.4 -29.3 28.5 100 214 A L H > S+ 0 0 12 41,-0.6 4,-1.9 44,-0.5 -1,-0.2 0.894 103.2 50.3 -64.5 -40.9 -25.8 -26.5 30.6 101 215 A D H > S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.837 109.1 49.8 -71.0 -32.6 -29.2 -28.1 31.0 102 216 A R H >X S+ 0 0 92 -4,-1.2 4,-2.2 1,-0.2 3,-0.8 0.889 109.3 53.5 -73.0 -36.1 -27.8 -31.4 32.1 103 217 A L H 3< S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 104.7 53.6 -61.3 -44.1 -25.6 -29.7 34.6 104 218 A R H 3< S+ 0 0 107 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.651 110.3 50.2 -70.8 -11.6 -28.6 -27.9 36.1 105 219 A K H << S+ 0 0 144 -3,-0.8 2,-1.2 -4,-0.5 -2,-0.2 0.926 112.2 42.3 -82.3 -59.8 -30.3 -31.3 36.5 106 220 A H S >< S- 0 0 92 -4,-2.2 3,-1.5 2,-0.1 -1,-0.2 -0.282 83.5-176.2 -84.5 49.1 -27.5 -33.3 38.2 107 221 A Q T 3 S- 0 0 120 -2,-1.2 -3,-0.1 -3,-0.3 93,-0.1 -0.270 74.3 -2.5 -51.3 116.5 -26.7 -30.3 40.5 108 222 A G T 3 S+ 0 0 21 -5,-0.1 2,-0.7 -2,-0.1 -1,-0.3 0.048 119.2 86.4 90.4 -28.1 -23.7 -31.5 42.5 109 223 A H < + 0 0 95 -3,-1.5 2,-0.3 -6,-0.2 199,-0.1 -0.689 55.7 109.2-114.7 81.5 -23.6 -35.0 41.0 110 224 A F S S- 0 0 15 -2,-0.7 2,-0.6 197,-0.4 3,-0.1 -0.986 77.9 -96.1-148.8 138.3 -21.6 -34.9 37.7 111 225 A L > - 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0 0 7 -3,-1.2 15,-0.1 -4,-0.7 -33,-0.0 -0.539 66.9-127.0 -84.7 139.5 -18.7 -9.8 28.0 172 298 A A > - 0 0 0 -2,-0.2 4,-2.5 13,-0.1 3,-0.3 -0.314 34.9-104.7 -66.3 160.1 -15.2 -8.6 28.3 173 299 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.903 121.4 49.9 -57.2 -41.5 -14.7 -5.1 29.6 174 300 A E H > S+ 0 0 24 70,-0.2 4,-2.4 2,-0.2 6,-1.1 0.810 108.2 53.0 -72.9 -27.3 -13.8 -3.8 26.1 175 301 A S H > S+ 0 0 1 -3,-0.3 4,-2.4 4,-0.2 -1,-0.2 0.958 115.2 41.5 -67.4 -49.4 -16.8 -5.5 24.6 176 302 A L H < S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.923 120.0 44.0 -62.1 -43.0 -19.0 -3.7 27.1 177 303 A K H < S+ 0 0 105 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.837 138.0 3.1 -75.6 -32.8 -17.1 -0.5 26.9 178 304 A T H < S- 0 0 85 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.321 88.8-114.8-139.1 9.0 -16.8 -0.2 23.1 179 305 A R < + 0 0 197 -4,-2.4 2,-0.2 -5,-0.3 -4,-0.2 0.682 63.5 152.6 58.3 16.6 -18.6 -3.2 21.4 180 306 A T - 0 0 72 -6,-1.1 2,-0.3 -5,-0.0 -1,-0.2 -0.580 23.9-168.8 -69.2 138.6 -15.2 -4.4 20.2 181 307 A F + 0 0 55 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.969 15.4 144.8-133.2 151.2 -15.0 -8.2 19.7 182 308 A S > - 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0 0 8 -3,-1.1 15,-0.1 -4,-0.7 -33,-0.0 -0.550 66.9-127.0 -86.3 139.3 18.4 -10.6 68.9 493 298 B A > - 0 0 0 -2,-0.3 4,-2.5 13,-0.1 3,-0.2 -0.312 35.0-104.1 -66.9 161.3 14.9 -9.3 68.6 494 299 B P H > S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.905 121.9 49.8 -58.0 -42.2 14.6 -5.7 67.3 495 300 B E H > S+ 0 0 24 70,-0.3 4,-2.5 2,-0.2 6,-1.1 0.824 108.4 52.8 -72.4 -28.9 13.7 -4.4 70.8 496 301 B S H > S+ 0 0 2 4,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.957 115.5 41.4 -64.9 -50.1 16.7 -6.2 72.3 497 302 B L H < S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.924 120.1 44.3 -60.6 -43.5 18.9 -4.6 69.7 498 303 B K H < S+ 0 0 103 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.822 137.9 2.4 -76.2 -31.2 17.2 -1.2 70.0 499 304 B T H < S- 0 0 84 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.302 88.4-114.7-141.5 9.2 16.9 -1.0 73.8 500 305 B R < + 0 0 197 -4,-2.4 2,-0.2 -5,-0.3 -4,-0.2 0.671 63.5 152.0 58.3 16.2 18.5 -4.0 75.5 501 306 B T - 0 0 73 -6,-1.1 2,-0.3 -5,-0.0 -1,-0.2 -0.581 24.5-168.1 -68.9 138.9 15.1 -5.0 76.7 502 307 B F + 0 0 53 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.968 15.7 144.9-133.1 152.0 14.8 -8.8 77.2 503 308 B S > - 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