==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-DEC-12 4ID7 . COMPND 2 MOLECULE: ACTIVATED CDC42 KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.JIN,J.WANG,A.KLEINBERG,M.KADALBAJOO,K.SIU,A.COOKE,M.BITTNE . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 1 1 0 1 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 2 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 117 A L 0 0 190 0, 0.0 2,-0.3 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 163.5 24.4 14.5 45.8 2 118 A T + 0 0 42 71,-0.2 3,-0.1 60,-0.1 29,-0.0 -0.943 360.0 172.9-142.6 165.4 27.1 11.8 45.8 3 119 A C + 0 0 80 1,-0.4 72,-0.6 -2,-0.3 2,-0.4 0.588 69.4 35.6-143.7 -47.0 30.9 11.7 45.9 4 120 A L B -a 75 0A 103 70,-0.2 2,-0.4 72,-0.0 -1,-0.4 -0.995 64.5-158.6-123.5 131.5 32.3 8.1 46.3 5 121 A I - 0 0 11 70,-2.5 72,-0.3 -2,-0.4 2,-0.1 -0.902 16.1-127.0-113.0 136.8 30.6 5.0 44.7 6 122 A G > - 0 0 28 -2,-0.4 4,-1.3 70,-0.1 3,-0.1 -0.384 12.5-127.9 -82.8 155.7 31.2 1.4 45.9 7 123 A E T 4 S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.2 69,-0.0 0.764 112.1 56.9 -69.1 -28.6 32.2 -1.6 43.9 8 124 A K T 4 S+ 0 0 188 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.829 110.9 43.0 -67.7 -35.7 29.2 -3.5 45.3 9 125 A D T 4 S+ 0 0 62 -3,-0.1 21,-2.2 20,-0.1 2,-0.3 0.694 103.9 78.8 -82.9 -24.0 26.9 -0.8 43.8 10 126 A L E < -B 29 0A 13 -4,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.653 58.2-175.1 -87.8 146.6 28.7 -0.5 40.5 11 127 A R E -B 28 0A 112 17,-0.9 17,-3.0 -2,-0.3 2,-0.1 -0.923 13.6-143.0-149.3 114.7 28.1 -3.2 37.7 12 128 A L E +B 27 0A 60 -2,-0.3 15,-0.3 15,-0.2 2,-0.2 -0.437 19.3 173.7 -90.7 152.4 30.1 -3.3 34.4 13 129 A L E - 0 0 65 13,-3.1 -1,-0.1 1,-0.3 14,-0.0 -0.425 46.1 -24.7-132.3-158.0 29.0 -4.1 30.9 14 130 A E E - 0 0 102 -2,-0.2 12,-2.5 11,-0.1 2,-0.5 -0.133 70.0 -96.6 -63.3 155.6 30.5 -4.1 27.3 15 131 A K E -B 25 0A 122 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.606 32.1-174.6 -76.9 119.9 33.4 -1.8 26.3 16 132 A L E - 0 0 87 8,-1.7 2,-0.3 -2,-0.5 9,-0.2 0.942 65.8 -15.4 -75.2 -53.0 32.2 1.5 24.6 17 133 A G E -B 24 0A 37 7,-1.9 7,-0.9 5,-0.1 2,-0.4 -0.961 46.7-140.2-151.5 166.1 35.6 2.8 23.7 18 134 A D E +B 23 0A 112 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.870 28.5 168.2-134.7 97.1 39.4 2.6 24.3 19 135 A G - 0 0 66 3,-0.9 -1,-0.1 -2,-0.4 4,-0.1 0.855 58.5 -60.1 -74.9-108.6 41.2 6.0 24.4 20 136 A S S S- 0 0 100 2,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.770 120.3 -4.9-111.2 -56.8 44.8 6.2 25.6 21 137 A F S S+ 0 0 139 1,-0.2 24,-0.6 22,-0.1 -3,-0.0 -0.480 122.3 61.5-141.9 64.3 44.9 5.0 29.2 22 138 A G - 0 0 12 22,-0.2 2,-0.9 2,-0.0 -3,-0.9 -0.211 62.6-150.0 170.1 90.5 41.2 4.3 30.1 23 139 A V E -B 18 0A 28 -5,-0.2 20,-0.6 -4,-0.1 2,-0.5 -0.602 26.0-140.3 -73.1 102.3 39.0 1.8 28.4 24 140 A V E -BC 17 42A 40 -2,-0.9 -7,-1.9 -7,-0.9 -8,-1.7 -0.539 24.1-171.1 -74.2 114.8 35.5 3.4 28.9 25 141 A R E -BC 15 41A 86 16,-1.6 16,-3.0 -2,-0.5 -10,-0.2 -0.793 21.2-121.9-107.4 147.6 32.9 0.7 29.7 26 142 A R E + C 0 40A 78 -12,-2.5 -13,-3.1 -2,-0.3 2,-0.3 -0.489 45.3 151.2 -76.9 155.4 29.1 0.9 29.9 27 143 A G E -BC 12 39A 0 12,-1.8 12,-2.6 -15,-0.3 2,-0.5 -0.989 43.4-100.1-172.1 176.9 27.5 -0.1 33.2 28 144 A E E -BC 11 38A 33 -17,-3.0 -17,-0.9 -2,-0.3 2,-0.6 -0.974 23.4-164.6-119.0 119.7 24.7 0.1 35.8 29 145 A W E -BC 10 37A 17 8,-2.4 8,-2.3 -2,-0.5 2,-1.3 -0.931 16.3-143.5-102.6 115.0 25.1 2.2 39.1 30 146 A D E - C 0 36A 56 -21,-2.2 6,-0.2 -2,-0.6 5,-0.1 -0.671 29.5-146.5 -75.1 94.6 22.5 1.4 41.7 31 147 A A - 0 0 11 -2,-1.3 3,-0.3 4,-0.9 -26,-0.0 -0.292 13.8-120.3 -70.5 151.7 22.1 5.0 43.0 32 148 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.722 105.0 63.3 -68.0 -24.4 21.4 5.7 46.7 33 149 A S S S- 0 0 119 2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.933 120.0 -85.8 -65.6 -49.8 18.1 7.5 46.1 34 150 A G S S+ 0 0 57 1,-0.5 -1,-0.0 -3,-0.3 0, 0.0 -0.212 91.9 70.4-178.7 -79.1 16.2 4.5 44.6 35 151 A K S S- 0 0 182 1,-0.1 -4,-0.9 -5,-0.1 2,-0.5 -0.138 74.7-109.2 -70.8 161.0 16.3 3.5 40.9 36 152 A T E -C 30 0A 60 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.826 34.5-150.9 -95.8 121.3 19.3 2.0 39.0 37 153 A V E -C 29 0A 51 -8,-2.3 -8,-2.4 -2,-0.5 2,-0.5 -0.686 15.8-120.9 -97.9 141.5 20.9 4.4 36.5 38 154 A S E +C 28 0A 54 -2,-0.3 49,-0.7 -10,-0.2 2,-0.3 -0.729 45.0 178.0 -76.6 121.4 22.7 3.6 33.2 39 155 A V E -CD 27 86A 0 -12,-2.6 -12,-1.8 -2,-0.5 2,-0.6 -0.879 33.1-124.7-129.4 154.9 26.2 5.1 33.6 40 156 A A E -CD 26 85A 9 45,-2.4 45,-2.7 -2,-0.3 2,-0.4 -0.915 27.9-155.7 -99.0 120.6 29.4 5.4 31.6 41 157 A V E -CD 25 84A 0 -16,-3.0 -16,-1.6 -2,-0.6 2,-0.5 -0.808 4.3-161.8 -98.8 138.9 32.4 4.1 33.6 42 158 A K E -C 24 0A 77 41,-0.8 41,-0.2 -2,-0.4 -18,-0.2 -0.938 7.8-155.7-126.2 106.6 36.0 5.3 32.8 43 159 A C - 0 0 22 -20,-0.6 2,-0.3 -2,-0.5 39,-0.2 -0.205 8.9-156.7 -73.7 168.8 38.9 3.2 34.1 44 160 A L - 0 0 81 -22,-0.1 -22,-0.2 -21,-0.1 37,-0.2 -0.977 5.5-140.3-148.8 156.8 42.5 4.6 34.7 45 161 A K 0 0 149 -24,-0.6 -24,-0.0 -2,-0.3 0, 0.0 -0.946 360.0 360.0-123.0 137.7 46.1 3.3 34.9 46 162 A P 0 0 152 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 0.216 360.0 360.0 -68.2 360.0 49.0 4.2 37.2 47 ! 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 48 168 A P 0 0 143 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.9 52.7 8.4 39.9 49 169 A E + 0 0 185 1,-0.1 3,-0.2 3,-0.0 4,-0.1 0.464 360.0 94.8 65.6 6.4 52.5 12.3 40.4 50 170 A A > + 0 0 61 1,-0.1 4,-1.2 2,-0.1 3,-0.3 0.255 54.7 93.9-103.4 7.2 49.5 12.5 38.0 51 171 A M H > S+ 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.847 74.9 63.7 -65.2 -37.2 47.0 12.3 40.9 52 172 A D H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 102.0 49.9 -57.3 -37.4 46.8 16.1 41.1 53 173 A D H > S+ 0 0 58 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.862 112.7 47.2 -66.3 -39.5 45.3 16.1 37.6 54 174 A F H X S+ 0 0 23 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.865 112.9 49.2 -66.9 -38.8 42.8 13.5 38.8 55 175 A I H X S+ 0 0 77 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.915 111.8 48.9 -66.4 -45.8 42.1 15.5 41.9 56 176 A R H X S+ 0 0 129 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.958 112.1 47.5 -54.2 -57.2 41.5 18.8 39.9 57 177 A E H X S+ 0 0 44 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.889 114.1 46.2 -56.3 -46.3 39.2 17.1 37.4 58 178 A V H X S+ 0 0 26 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.953 115.4 44.2 -64.9 -53.2 37.0 15.4 40.0 59 179 A N H X S+ 0 0 107 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.868 115.6 49.2 -59.4 -40.1 36.7 18.5 42.3 60 180 A A H >X S+ 0 0 22 -4,-2.6 4,-1.1 -5,-0.2 3,-0.5 0.944 114.9 42.1 -64.9 -51.3 36.0 20.8 39.3 61 181 A M H 3< S+ 0 0 15 -4,-2.4 11,-0.4 -5,-0.2 -2,-0.2 0.796 101.6 69.3 -68.4 -33.5 33.3 18.7 37.7 62 182 A H H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 107.7 37.8 -56.0 -36.6 31.5 17.7 40.9 63 183 A S H << S+ 0 0 99 -4,-0.8 -1,-0.2 -3,-0.5 2,-0.2 0.780 100.9 87.2 -84.9 -32.1 30.3 21.4 41.4 64 184 A L < + 0 0 14 -4,-1.1 8,-0.3 2,-0.0 2,-0.3 -0.503 49.5 169.1 -73.2 136.7 29.6 22.1 37.6 65 185 A D + 0 0 81 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.832 8.3 146.2-152.2 111.2 26.1 21.1 36.2 66 186 A H > - 0 0 51 3,-0.4 3,-1.6 -2,-0.3 5,-0.1 -0.979 54.1-115.4-141.6 152.6 24.7 22.1 32.8 67 187 A R T 3 S+ 0 0 139 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.836 116.6 46.2 -53.1 -39.1 22.4 20.5 30.2 68 188 A N T 3 S+ 0 0 2 47,-0.1 80,-2.3 79,-0.1 2,-0.4 -0.122 99.3 81.9-101.0 32.9 25.3 20.3 27.7 69 189 A L B < S-f 148 0B 6 -3,-1.6 2,-0.4 78,-0.2 -3,-0.4 -0.988 86.4-111.1-136.5 130.5 28.0 19.0 30.0 70 190 A I - 0 0 16 78,-2.1 2,-0.1 -2,-0.4 -2,-0.1 -0.416 39.6-130.9 -60.5 113.4 28.5 15.3 31.0 71 191 A R - 0 0 114 -2,-0.4 15,-2.2 -4,-0.1 2,-0.6 -0.413 10.0-136.4 -70.4 139.1 27.6 15.1 34.7 72 192 A L E - E 0 85A 24 -11,-0.4 13,-0.2 -8,-0.3 3,-0.1 -0.886 19.2-177.2 -95.9 123.0 30.0 13.4 37.1 73 193 A Y E - 0 0 49 11,-2.0 2,-0.3 -2,-0.6 -71,-0.2 0.901 53.5 -68.9 -83.4 -47.1 28.2 11.1 39.6 74 194 A G E - E 0 84A 4 10,-1.8 10,-0.9 -69,-0.0 2,-0.3 -0.940 43.2 -86.1-178.5-160.6 31.2 9.9 41.6 75 195 A V E -aE 4 83A 6 -72,-0.6 -70,-2.5 -2,-0.3 2,-0.5 -0.996 18.7-140.9-140.9 138.1 34.5 8.0 41.9 76 196 A V - 0 0 1 6,-1.2 6,-0.4 -2,-0.3 -70,-0.1 -0.921 12.9-167.4 -99.9 127.6 35.3 4.4 42.9 77 197 A L + 0 0 92 -2,-0.5 4,-0.1 -72,-0.3 -1,-0.1 0.674 57.7 97.5 -92.3 -21.6 38.5 4.3 45.1 78 198 A T S S- 0 0 64 2,-0.1 4,-0.4 1,-0.1 -2,-0.1 -0.578 92.9 -70.1 -68.0 123.5 39.2 0.5 44.9 79 199 A P S S+ 0 0 115 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.350 123.8 53.7 -59.7 137.4 41.9 0.0 42.2 80 200 A P S S- 0 0 72 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 0.389 96.6-134.3 -73.8 133.7 41.6 0.3 39.2 81 201 A M - 0 0 41 -37,-0.2 -4,-0.2 -4,-0.1 2,-0.1 -0.459 26.7-164.8 -65.4 102.1 40.2 3.8 40.1 82 202 A K - 0 0 17 -2,-0.8 -6,-1.2 -6,-0.4 2,-0.3 -0.303 12.1-146.2 -80.2 171.6 37.0 4.1 38.0 83 203 A M E - E 0 75A 17 -8,-0.2 -41,-0.8 -41,-0.2 2,-0.6 -0.848 11.9-148.6-148.8 98.4 35.2 7.4 37.3 84 204 A V E +DE 41 74A 0 -10,-0.9 -11,-2.0 -2,-0.3 -10,-1.8 -0.639 29.1 159.6 -86.6 114.7 31.4 7.1 37.1 85 205 A T E -DE 40 72A 28 -45,-2.7 -45,-2.4 -2,-0.6 -13,-0.2 -0.700 43.9 -75.8-125.7 173.8 29.8 9.7 34.7 86 206 A E E -D 39 0A 36 -15,-2.2 2,-0.3 -47,-0.2 -47,-0.2 -0.401 49.6-114.8 -72.8 150.1 26.5 10.1 32.7 87 207 A L - 0 0 29 -49,-0.7 3,-0.1 -2,-0.1 -16,-0.1 -0.644 16.7-163.4 -87.8 139.8 26.0 8.1 29.5 88 208 A A > - 0 0 8 -2,-0.3 3,-2.7 1,-0.1 52,-0.3 -0.840 15.3-162.4-114.9 86.9 25.7 9.6 26.1 89 209 A P T 3 S+ 0 0 88 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.762 82.6 56.0 -43.0 -43.4 24.1 6.5 24.3 90 210 A L T 3 S- 0 0 50 50,-1.4 51,-0.1 51,-0.3 6,-0.1 0.489 95.9-156.0 -76.6 -5.1 24.9 7.6 20.7 91 211 A G < + 0 0 25 -3,-2.7 49,-1.8 49,-0.5 2,-0.3 -0.254 49.3 14.2 76.5-150.9 28.7 7.9 21.5 92 212 A S B > -G 139 0B 33 47,-0.2 4,-1.5 1,-0.2 47,-0.2 -0.464 53.0-158.6 -69.8 123.7 31.2 10.1 19.7 93 213 A L H > S+ 0 0 0 45,-1.7 4,-2.9 -2,-0.3 5,-0.2 0.849 93.5 58.5 -65.7 -37.8 29.7 12.7 17.4 94 214 A L H > S+ 0 0 9 41,-0.6 4,-1.6 44,-0.5 -1,-0.2 0.862 106.8 47.2 -62.2 -39.2 33.0 12.9 15.4 95 215 A D H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 113.7 48.5 -65.4 -41.3 32.8 9.2 14.6 96 216 A R H X S+ 0 0 86 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.863 108.8 52.2 -69.6 -39.5 29.1 9.6 13.6 97 217 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 111.7 48.2 -57.4 -44.9 29.8 12.7 11.4 98 218 A R H < S+ 0 0 114 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.843 120.5 34.7 -66.9 -38.7 32.5 10.6 9.6 99 219 A K H < S+ 0 0 162 -4,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.854 125.9 37.5 -83.6 -39.9 30.3 7.5 9.0 100 220 A H < + 0 0 79 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.741 59.5 155.5-121.1 79.6 26.9 9.2 8.4 101 221 A Q S > S+ 0 0 121 -2,-0.5 3,-0.5 -3,-0.3 -1,-0.1 0.774 73.3 56.7 -72.7 -29.0 27.4 12.5 6.5 102 222 A G T 3 S+ 0 0 63 1,-0.2 2,-0.5 3,-0.0 -1,-0.2 0.859 93.6 64.5 -72.5 -38.4 23.8 12.4 5.1 103 223 A H T 3 S+ 0 0 155 1,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.090 84.5 82.0 -87.4 36.4 21.8 12.3 8.4 104 224 A F < - 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0 0 14 -30,-2.4 7,-0.1 -2,-0.4 5,-0.1 -0.417 35.5-102.2 -62.0 145.5 41.7 31.3 35.8 158 278 A P > - 0 0 56 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.306 47.1 -88.9 -63.0 159.0 43.5 33.0 38.8 159 279 A Q T 3 S+ 0 0 165 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.524 114.2 11.8 -72.3 138.1 41.5 35.8 40.5 160 280 A N T 3 S+ 0 0 146 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.862 112.0 102.7 58.6 40.8 42.2 39.2 39.0 161 281 A D < - 0 0 60 -3,-1.0 -1,-0.1 1,-0.0 0, 0.0 -0.928 51.8-168.2-157.4 122.8 44.0 37.4 36.0 162 282 A D + 0 0 114 -2,-0.3 27,-0.5 -5,-0.1 2,-0.3 0.427 67.8 46.7 -99.6 -2.4 42.5 36.8 32.5 163 283 A H - 0 0 80 25,-0.1 2,-0.3 26,-0.1 25,-0.2 -0.859 58.4-149.9-136.8 171.8 45.1 34.3 31.1 164 284 A Y E -J 187 0D 53 23,-2.1 23,-2.8 -2,-0.3 2,-0.4 -0.938 11.7-144.3-148.9 115.7 47.0 31.1 32.0 165 285 A V E -J 186 0D 89 -2,-0.3 21,-0.2 21,-0.2 2,-0.2 -0.714 26.9-131.4 -81.7 130.8 50.4 29.9 30.7 166 286 A M - 0 0 11 19,-2.4 2,-0.1 -2,-0.4 -1,-0.0 -0.520 24.4 -97.0 -85.9 148.1 50.6 26.2 30.2 167 287 A Q > - 0 0 124 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.390 30.6-127.3 -63.7 138.0 53.4 23.9 31.5 168 288 A E T 3 S+ 0 0 170 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.740 97.8 63.7 -59.6 -29.1 56.1 23.1 28.9 169 289 A H T 3 S+ 0 0 125 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.866 85.8 77.8 -71.5 -40.6 56.0 19.3 29.3 170 290 A R S < S- 0 0 52 -3,-0.6 2,-0.5 1,-0.1 -4,-0.0 -0.313 85.7 -99.1 -81.5 161.0 52.4 18.5 28.1 171 291 A K - 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0 0 12 -2,-0.3 4,-1.9 -25,-0.2 -57,-0.2 -0.927 65.4 -75.0-167.0 179.3 42.2 32.1 27.9 189 309 A H H > S+ 0 0 35 -27,-0.5 4,-1.9 -2,-0.3 5,-0.1 0.871 130.0 53.7 -59.8 -38.2 38.5 32.4 27.1 190 310 A A H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 105.5 52.0 -63.6 -40.6 39.5 33.9 23.7 191 311 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 108.0 52.5 -64.7 -37.2 41.7 30.8 23.0 192 312 A D H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.878 106.0 54.0 -61.5 -40.4 38.7 28.6 23.8 193 313 A T H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.908 108.4 49.0 -58.8 -43.2 36.7 30.7 21.3 194 314 A W H X S+ 0 0 8 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.939 111.5 48.8 -60.6 -48.9 39.4 30.0 18.6 195 315 A M H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.798 109.4 54.1 -58.7 -31.4 39.2 26.2 19.5 196 316 A F H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.839 102.9 56.0 -71.8 -37.5 35.3 26.5 19.2 197 317 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.879 109.2 46.3 -60.6 -39.6 35.6 28.0 15.7 198 318 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.883 109.7 54.1 -71.9 -39.9 37.6 24.9 14.6 199 319 A T H X S+ 0 0 1 -4,-1.6 4,-2.0 -66,-0.2 -2,-0.2 0.899 108.2 50.0 -57.4 -44.6 35.1 22.6 16.3 200 320 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 109.0 52.8 -56.7 -43.5 32.3 24.4 14.3 201 321 A W H X S+ 0 0 10 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.902 107.3 50.4 -62.0 -43.8 34.5 23.7 11.2 202 322 A E H <>S+ 0 0 2 -4,-2.5 5,-2.9 1,-0.2 3,-0.4 0.894 109.9 52.7 -57.3 -43.0 34.7 20.0 12.0 203 323 A M H ><5S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.934 111.5 43.0 -60.9 -49.5 31.0 19.9 12.4 204 324 A F H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.483 116.6 47.8 -84.0 -3.0 30.1 21.5 9.0 205 325 A T T 3<5S- 0 0 18 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.291 112.3-119.2-106.3 3.4 32.8 19.4 7.2 206 326 A Y T < 5S- 0 0 51 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.884 79.4 -33.6 58.8 42.3 31.6 16.2 8.8 207 327 A G S - 0 0 115 -2,-0.2 3,-0.8 1,-0.0 2,-0.2 -0.733 34.3-127.1 -77.0 122.5 41.2 16.9 10.0 210 330 A P T 3 S+ 0 0 7 0, 0.0 3,-0.2 0, 0.0 -35,-0.1 -0.551 87.0 3.3 -75.6 140.2 42.1 20.7 10.1 211 331 A W T > S- 0 0 31 -2,-0.2 3,-1.3 1,-0.2 8,-0.1 0.900 92.7-152.6 52.3 48.6 45.5 21.6 8.6 212 332 A I T < + 0 0 116 -3,-0.8 -1,-0.2 1,-0.2 3,-0.1 -0.255 68.8 5.3 -60.5 126.7 46.0 18.0 7.6 213 333 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 -0.035 103.8 111.7 93.9 -29.5 49.7 16.9 7.4 214 334 A L < - 0 0 62 -3,-1.3 -1,-0.3 1,-0.1 2,-0.2 -0.278 55.7-139.4 -78.5 159.9 51.2 20.2 8.7 215 335 A N > - 0 0 70 -3,-0.1 4,-2.7 -41,-0.1 5,-0.2 -0.595 35.2 -90.7-107.0 176.5 52.9 20.8 12.1 216 336 A G H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.862 124.9 49.6 -56.7 -45.0 52.7 23.7 14.6 217 337 A S H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 114.5 46.3 -56.8 -49.4 55.5 25.8 13.0 218 338 A Q H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.850 115.9 44.3 -64.1 -40.1 53.9 25.3 9.6 219 339 A I H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.912 110.5 55.5 -70.5 -44.0 50.4 26.2 10.8 220 340 A L H X S+ 0 0 36 -4,-3.0 4,-2.7 1,-0.2 5,-0.4 0.909 106.7 50.2 -54.7 -47.1 51.7 29.2 12.9 221 341 A H H X>S+ 0 0 84 -4,-2.1 5,-1.9 2,-0.2 4,-1.7 0.905 112.7 47.4 -59.7 -44.5 53.3 30.8 9.8 222 342 A K H <>S+ 0 0 53 -4,-1.4 6,-2.1 3,-0.2 5,-0.6 0.956 119.0 37.4 -60.2 -54.1 50.1 30.4 7.8 223 343 A I H <5S+ 0 0 2 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.766 125.6 37.2 -74.2 -28.9 47.7 31.8 10.4 224 344 A D H <5S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.930 132.6 15.7 -87.1 -54.9 50.0 34.5 11.8 225 345 A K T <5S+ 0 0 143 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.910 131.6 39.3 -92.9 -50.1 51.9 35.9 8.7 226 346 A E T - 0 0 7 0, 0.0 3,-1.6 0, 0.0 2,-0.1 -0.419 31.8-103.5 -61.0 141.0 32.9 24.2 4.3 234 354 A E T 3 S+ 0 0 134 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.474 108.4 20.0 -67.7 137.7 30.6 23.3 1.4 235 355 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.3 -2,-0.1 -30,-0.0 0.647 94.7 120.9 68.5 19.8 26.9 23.5 2.4 236 356 A C < - 0 0 5 -3,-1.6 -1,-0.3 1,-0.0 5,-0.0 -0.958 69.6-114.2-101.9 128.4 27.8 25.7 5.4 237 357 A P > - 0 0 43 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.138 16.3-119.8 -59.8 160.6 25.9 29.0 5.3 238 358 A Q H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.885 111.6 52.7 -68.7 -40.7 27.8 32.3 4.8 239 359 A D H > S+ 0 0 114 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.867 109.4 48.3 -64.4 -39.5 26.6 33.8 8.1 240 360 A I H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.885 112.7 48.4 -67.9 -40.8 27.6 30.7 10.2 241 361 A Y H X S+ 0 0 34 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.882 105.5 58.6 -64.6 -39.3 31.1 30.8 8.6 242 362 A N H X S+ 0 0 69 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.697 104.6 51.4 -63.0 -21.5 31.3 34.5 9.3 243 363 A V H X S+ 0 0 13 -4,-0.7 4,-1.9 -3,-0.5 -1,-0.2 0.810 108.1 51.3 -77.0 -38.5 30.9 33.6 13.0 244 364 A M H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.899 110.3 48.8 -61.6 -41.3 33.7 31.1 12.6 245 365 A V H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.5 53.9 -68.3 -31.4 35.9 33.9 11.1 246 366 A Q H >< S+ 0 0 90 -4,-0.8 3,-0.9 -5,-0.2 -1,-0.2 0.855 105.7 53.3 -68.1 -37.3 34.8 36.1 14.0 247 367 A C H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.787 106.0 56.5 -61.9 -30.6 36.1 33.3 16.4 248 368 A W T 3< S+ 0 0 6 -4,-1.1 -1,-0.2 -5,-0.1 2,-0.2 -0.061 70.0 143.7-100.1 32.4 39.5 33.4 14.5 249 369 A A < - 0 0 21 -3,-0.9 6,-0.1 1,-0.1 -55,-0.1 -0.535 54.5-127.9 -69.5 136.5 40.4 37.1 15.0 250 370 A H S S+ 0 0 79 -2,-0.2 -70,-0.3 4,-0.1 -1,-0.1 0.902 93.1 63.3 -54.1 -50.7 44.2 37.4 15.5 251 371 A K S > S- 0 0 125 1,-0.1 3,-0.7 -72,-0.1 4,-0.3 -0.622 78.9-141.2 -77.5 130.9 44.0 39.5 18.7 252 372 A P G > S+ 0 0 42 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.857 101.7 60.5 -55.7 -36.5 42.3 37.7 21.6 253 373 A E G 3 S+ 0 0 155 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.801 99.5 55.6 -63.4 -32.4 40.6 41.0 22.6 254 374 A D G < S+ 0 0 98 -3,-0.7 -1,-0.3 -5,-0.1 -4,-0.1 0.453 87.5 98.4 -80.5 -2.5 38.8 41.1 19.2 255 375 A R S < S- 0 0 15 -3,-1.5 -8,-0.1 -4,-0.3 -64,-0.1 -0.702 75.5-122.0 -87.0 139.2 37.3 37.6 19.7 256 376 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -63,-0.1 -0.279 22.5-107.7 -79.7 166.0 33.7 37.5 21.0 257 377 A T > - 0 0 70 1,-0.1 4,-2.4 -64,-0.0 3,-0.4 -0.467 30.6-107.0 -86.5 162.9 32.4 35.8 24.1 258 378 A F H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -137,-0.2 0.670 118.8 60.2 -65.8 -20.2 30.3 32.6 24.2 259 379 A V H > S+ 0 0 73 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.897 110.5 40.9 -69.5 -43.4 27.2 34.6 25.1 260 380 A A H > S+ 0 0 27 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.939 113.8 52.9 -67.2 -49.6 27.5 36.6 21.9 261 381 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 108.3 50.4 -52.5 -50.3 28.5 33.5 19.8 262 382 A R H X S+ 0 0 72 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.892 112.9 46.7 -54.9 -44.7 25.4 31.6 21.0 263 383 A D H X S+ 0 0 71 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.893 111.4 50.7 -67.4 -42.3 23.1 34.6 20.1 264 384 A F H X S+ 0 0 85 -4,-2.9 4,-1.1 1,-0.2 3,-0.3 0.908 108.8 52.0 -59.6 -45.3 24.8 35.0 16.6 265 385 A L H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.792 106.0 55.0 -62.9 -30.7 24.3 31.3 15.9 266 386 A L H < S+ 0 0 77 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.823 101.7 57.4 -69.4 -34.8 20.6 31.6 16.8 267 387 A E H < S+ 0 0 157 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.787 108.4 46.7 -66.9 -30.3 20.1 34.5 14.3 268 388 A A H < 0 0 39 -4,-1.1 -2,-0.2 -29,-0.1 -1,-0.2 0.864 360.0 360.0 -72.6 -41.6 21.4 32.1 11.5 269 389 A Q < 0 0 109 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.769 360.0 360.0 -76.8 360.0 19.1 29.4 12.9