==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-13 4L3L . COMPND 2 MOLECULE: RPS6KB1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,C.ZHONG,J.DING . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.7 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 . 1 0.3 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 2 0 1 0 2 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 2 1 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 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 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 62 A K 0 0 248 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.6 5.6 -5.1 10.6 2 63 A I + 0 0 53 75,-0.1 75,-0.0 3,-0.0 3,-0.0 -0.773 360.0 173.1 -92.5 127.0 2.6 -3.1 11.9 3 64 A R > - 0 0 30 -2,-0.5 3,-2.1 75,-0.1 4,-0.2 -0.860 47.4-105.4-129.3 161.0 -0.4 -5.0 13.2 4 65 A P G > S+ 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.843 118.0 64.0 -53.1 -34.1 -3.7 -4.2 14.9 5 66 A E G 3 S+ 0 0 151 1,-0.3 22,-0.0 3,-0.0 -3,-0.0 0.561 85.7 74.1 -70.3 -8.2 -2.2 -5.6 18.2 6 67 A C G < S+ 0 0 15 -3,-2.1 21,-3.1 20,-0.1 22,-0.6 0.565 93.6 63.3 -80.4 -7.1 0.4 -2.8 18.1 7 68 A F E < -A 26 0A 15 -3,-1.6 2,-0.5 19,-0.2 19,-0.2 -0.904 68.2-145.3-124.9 146.1 -2.2 -0.3 19.2 8 69 A E E -A 25 0A 91 17,-2.7 17,-2.1 -2,-0.4 2,-0.3 -0.928 25.8-126.1-105.6 128.7 -4.3 0.2 22.2 9 70 A L E +A 24 0A 99 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.577 31.2 172.8 -69.4 130.5 -7.8 1.7 21.7 10 71 A L E - 0 0 58 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.812 57.4 -32.6-103.7 -51.8 -8.4 4.8 23.8 11 72 A R E -A 23 0A 129 12,-1.3 12,-2.9 0, 0.0 2,-0.4 -0.989 59.8 -91.6-162.1 166.7 -11.8 6.1 22.6 12 73 A V E +A 22 0A 74 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.697 29.3 178.1 -83.8 128.7 -14.1 6.5 19.6 13 74 A L E S- 0 0 71 8,-3.5 2,-0.3 -2,-0.4 9,-0.2 0.613 71.1 -4.6-100.5 -23.4 -13.6 9.8 17.7 14 75 A G E -A 21 0A 30 7,-1.7 7,-3.1 2,-0.0 -1,-0.4 -0.949 55.8-157.9-169.5 153.7 -16.3 9.0 15.1 15 76 A K E +A 20 0A 156 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.998 22.2 157.9-142.0 127.5 -18.7 6.3 13.9 16 77 A G E > -A 19 0A 20 3,-3.1 3,-0.6 -2,-0.4 143,-0.2 -0.787 55.2 -87.1-139.6-178.5 -20.2 5.9 10.5 17 78 A G T 3 S+ 0 0 29 141,-1.7 142,-0.1 -2,-0.2 140,-0.1 0.818 124.6 44.0 -63.1 -31.6 -21.8 3.3 8.2 18 79 A Y T 3 S- 0 0 24 138,-0.4 24,-2.9 140,-0.3 2,-0.3 0.517 125.5 -65.4 -95.4 -5.1 -18.4 2.3 6.8 19 80 A G E < -AB 16 41A 12 -3,-0.6 -3,-3.1 22,-0.2 2,-0.3 -0.998 53.9 -73.2 157.0-155.3 -16.5 2.1 10.0 20 81 A K E -AB 15 40A 76 20,-2.0 20,-3.1 -2,-0.3 2,-0.5 -0.957 18.2-138.2-143.3 153.2 -15.0 4.0 13.0 21 82 A V E -AB 14 39A 43 -7,-3.1 -8,-3.5 -2,-0.3 -7,-1.7 -0.980 27.9-172.3-116.0 132.0 -12.3 6.4 13.9 22 83 A F E -AB 12 38A 29 16,-2.7 16,-3.3 -2,-0.5 2,-0.5 -0.878 28.3-127.0-119.3 151.0 -10.4 5.8 17.2 23 84 A Q E -AB 11 37A 26 -12,-2.9 -13,-2.9 -2,-0.3 -12,-1.3 -0.873 45.3-178.6 -85.7 130.5 -7.9 7.6 19.3 24 85 A V E -AB 9 36A 0 12,-3.1 12,-2.6 -2,-0.5 2,-0.4 -0.902 27.6-142.0-132.0 158.2 -5.1 5.0 19.8 25 86 A R E -AB 8 35A 89 -17,-2.1 -17,-2.7 -2,-0.3 2,-0.3 -0.988 22.6-129.8-118.0 130.1 -1.8 4.6 21.5 26 87 A K E -A 7 0A 10 8,-2.7 7,-3.1 -2,-0.4 -19,-0.2 -0.581 23.2-176.4 -73.9 133.8 1.1 2.7 19.9 27 88 A V + 0 0 66 -21,-3.1 2,-0.3 -2,-0.3 -20,-0.1 0.367 59.5 52.4-118.0 6.0 2.4 0.2 22.5 28 89 A T S S+ 0 0 57 -22,-0.6 3,-0.3 3,-0.1 5,-0.0 -0.872 89.0 19.2-131.6 163.4 5.3 -1.3 20.5 29 90 A G S > S- 0 0 51 -2,-0.3 3,-1.4 1,-0.2 -3,-0.0 -0.041 105.2 -44.2 75.8-173.4 8.3 -0.0 18.7 30 91 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.725 133.9 58.7 -69.8 -22.6 10.2 3.3 18.8 31 92 A N T > S+ 0 0 60 -3,-0.3 3,-2.4 2,-0.1 -5,-0.3 0.119 76.3 150.7 -91.9 21.0 6.9 5.2 18.7 32 93 A T T < + 0 0 84 -3,-1.4 -5,-0.2 1,-0.3 3,-0.1 -0.286 68.7 19.1 -54.4 132.8 5.8 3.5 21.9 33 94 A G T 3 S+ 0 0 40 -7,-3.1 -1,-0.3 1,-0.3 -6,-0.1 0.178 93.5 135.0 90.9 -17.2 3.5 5.8 23.9 34 95 A K < - 0 0 110 -3,-2.4 -8,-2.7 -8,-0.2 2,-0.4 -0.371 50.7-132.3 -72.7 143.5 2.7 7.9 20.9 35 96 A I E +B 25 0A 46 -10,-0.2 55,-0.7 -3,-0.1 2,-0.3 -0.808 31.7 165.8 -99.3 134.3 -0.9 8.9 20.2 36 97 A F E -BC 24 89A 2 -12,-2.6 -12,-3.1 -2,-0.4 2,-0.4 -0.876 36.7-114.1-135.0 170.6 -2.5 8.5 16.8 37 98 A A E -BC 23 88A 13 51,-2.8 51,-2.9 -2,-0.3 2,-0.5 -0.896 31.4-158.5-102.9 138.5 -5.9 8.5 15.1 38 99 A M E -BC 22 87A 6 -16,-3.3 -16,-2.7 -2,-0.4 2,-0.6 -0.960 7.1-158.8-125.6 118.1 -6.9 5.2 13.6 39 100 A K E -BC 21 86A 40 47,-2.9 47,-2.3 -2,-0.5 2,-0.6 -0.840 9.6-167.3 -93.0 123.7 -9.5 4.8 10.9 40 101 A V E -BC 20 85A 13 -20,-3.1 -20,-2.0 -2,-0.6 2,-0.3 -0.945 5.3-163.8-115.2 112.1 -11.0 1.2 10.8 41 102 A L E -BC 19 84A 11 43,-2.9 43,-1.9 -2,-0.6 2,-0.9 -0.748 23.6-120.3 -97.7 141.0 -13.1 0.4 7.7 42 103 A K E > - C 0 83A 109 -24,-2.9 4,-1.5 -2,-0.3 3,-0.3 -0.674 24.8-164.7 -79.6 106.4 -15.4 -2.5 7.3 43 104 A K H > S+ 0 0 59 39,-2.3 4,-2.9 -2,-0.9 5,-0.3 0.901 78.8 61.1 -61.4 -47.3 -14.0 -4.5 4.4 44 105 A A H > S+ 0 0 58 38,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.869 108.5 43.3 -50.5 -45.7 -17.0 -6.7 3.6 45 106 A M H > S+ 0 0 78 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.932 116.2 47.1 -67.6 -45.9 -19.3 -3.8 2.8 46 107 A I H >< S+ 0 0 5 -4,-1.5 3,-0.7 1,-0.2 7,-0.4 0.922 105.6 56.6 -63.5 -48.3 -16.8 -1.9 0.8 47 108 A V H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 101.4 58.2 -57.2 -36.7 -15.6 -4.8 -1.4 48 109 A R H 3< S+ 0 0 198 -4,-1.1 2,-0.7 -5,-0.3 -1,-0.2 0.887 99.1 65.5 -58.2 -42.0 -19.1 -5.5 -2.7 49 110 A N S S+ 0 0 79 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.844 93.7 44.6 -60.1 -40.0 -17.0 -1.2 -6.9 51 112 A K H > S+ 0 0 159 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.816 110.8 54.7 -77.6 -27.8 -17.0 2.6 -6.5 52 113 A D H > S+ 0 0 9 -6,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.891 110.2 48.3 -65.8 -38.9 -16.7 2.3 -2.7 53 114 A T H X S+ 0 0 35 -4,-2.3 4,-2.3 -7,-0.4 3,-0.4 0.968 112.1 47.6 -63.1 -53.9 -13.6 0.1 -3.4 54 115 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 112.0 49.9 -50.6 -50.8 -12.2 2.7 -5.9 55 116 A H H X S+ 0 0 76 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.794 108.8 53.1 -63.4 -29.7 -12.8 5.6 -3.5 56 117 A T H X S+ 0 0 13 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.914 110.5 45.6 -72.3 -44.3 -11.1 3.7 -0.7 57 118 A K H X S+ 0 0 136 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 109.5 59.0 -60.3 -39.1 -8.0 3.1 -2.7 58 119 A A H X S+ 0 0 36 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.881 103.5 49.1 -58.8 -43.3 -8.2 6.7 -3.8 59 120 A E H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.904 111.3 50.5 -65.2 -43.8 -7.9 8.0 -0.2 60 121 A R H X S+ 0 0 92 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.961 113.7 44.3 -53.6 -55.7 -4.9 5.8 0.5 61 122 A N H X S+ 0 0 96 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.893 112.7 53.3 -59.3 -44.3 -3.1 7.0 -2.6 62 123 A I H X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 3,-0.4 0.957 112.8 40.5 -54.7 -56.3 -4.0 10.7 -1.9 63 124 A L H < S+ 0 0 8 -4,-2.4 11,-0.5 1,-0.2 -1,-0.2 0.748 110.9 59.6 -73.9 -21.7 -2.7 10.8 1.6 64 125 A E H < S+ 0 0 118 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.870 115.2 33.4 -68.5 -38.6 0.4 8.8 0.7 65 126 A E H < S+ 0 0 126 -4,-1.7 2,-0.4 -3,-0.4 -2,-0.2 0.655 101.8 86.8 -97.7 -18.2 1.5 11.3 -1.9 66 127 A V < + 0 0 7 -4,-2.0 2,-0.3 -5,-0.2 59,-0.0 -0.673 46.1 168.7 -80.9 135.2 0.3 14.5 -0.2 67 128 A K + 0 0 177 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.833 20.6 129.0-146.5 108.4 2.7 16.1 2.3 68 129 A H > - 0 0 24 3,-0.4 3,-1.5 -2,-0.3 53,-0.0 -0.978 61.5-117.3-159.4 146.1 1.8 19.6 3.5 69 130 A P T 3 S+ 0 0 33 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.723 113.1 50.7 -63.5 -24.1 1.4 21.3 6.9 70 131 A F T 3 S+ 0 0 0 47,-0.1 80,-2.3 79,-0.1 2,-0.4 0.090 100.8 74.5-103.0 20.2 -2.3 22.1 6.4 71 132 A I B < S-e 150 0B 0 -3,-1.5 -3,-0.4 78,-0.3 80,-0.2 -0.999 91.3-100.8-132.6 137.9 -3.2 18.5 5.4 72 133 A V - 0 0 7 78,-2.4 2,-0.4 -2,-0.4 -6,-0.1 -0.247 37.0-127.2 -60.6 137.2 -3.5 15.5 7.7 73 134 A D - 0 0 48 -4,-0.1 16,-2.3 -6,-0.1 2,-0.5 -0.716 9.5-144.5 -89.9 132.3 -0.6 13.1 7.7 74 135 A L E +D 88 0A 35 -11,-0.5 14,-0.3 -2,-0.4 3,-0.1 -0.840 20.0 176.2 -92.5 128.6 -0.9 9.3 7.1 75 136 A I E + 0 0 69 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.884 60.0 0.4 -99.2 -54.3 1.5 7.3 9.2 76 137 A Y E -D 87 0A 49 11,-1.6 11,-3.0 2,-0.0 -1,-0.4 -0.939 52.5-165.9-132.8 160.5 0.7 3.6 8.5 77 138 A A E +D 86 0A 39 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 22.3 148.3-144.7 135.9 -1.7 1.6 6.5 78 139 A F E -D 85 0A 31 7,-2.0 7,-3.1 -2,-0.3 2,-0.3 -0.951 23.1-145.9-158.3 173.3 -2.4 -2.1 6.9 79 140 A Q E -D 84 0A 138 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.972 8.7-167.9-147.3 152.1 -5.2 -4.7 6.6 80 141 A T - 0 0 54 3,-2.6 5,-0.0 -2,-0.3 -77,-0.0 -0.534 52.8 -86.1-117.7-162.9 -6.7 -7.9 8.0 81 142 A G S S+ 0 0 69 -2,-0.2 3,-0.0 1,-0.1 -37,-0.0 0.876 126.5 27.6 -73.3 -36.6 -9.3 -10.1 6.4 82 143 A G S S+ 0 0 47 -39,-0.1 -39,-2.3 1,-0.1 -38,-0.5 0.701 119.6 47.3 -99.0 -22.7 -12.2 -8.1 7.9 83 144 A K E -C 42 0A 104 -41,-0.2 -3,-2.6 -40,-0.1 2,-0.4 -0.912 54.3-149.2-131.9 150.2 -10.8 -4.6 8.3 84 145 A L E -CD 41 79A 38 -43,-1.9 -43,-2.9 -2,-0.3 2,-0.5 -0.961 25.6-158.5-109.7 132.3 -8.8 -1.8 6.6 85 146 A Y E -CD 40 78A 20 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.5 -0.947 14.6-176.2-120.0 129.9 -6.6 0.3 8.9 86 147 A L E -CD 39 77A 10 -47,-2.3 -47,-2.9 -2,-0.5 2,-0.7 -0.993 11.6-157.8-120.0 123.5 -5.3 3.8 8.4 87 148 A I E +CD 38 76A 0 -11,-3.0 -12,-3.4 -2,-0.5 -11,-1.6 -0.912 22.4 174.0-101.6 112.3 -3.1 5.3 11.1 88 149 A L E -CD 37 74A 17 -51,-2.9 -51,-2.8 -2,-0.7 -14,-0.2 -0.738 40.9 -83.5-113.4 162.0 -3.1 9.1 10.9 89 150 A E E -C 36 0A 43 -16,-2.3 2,-0.4 -2,-0.3 -53,-0.2 -0.377 50.1-113.9 -60.8 143.4 -1.6 11.8 13.1 90 151 A Y - 0 0 56 -55,-0.7 2,-0.6 -66,-0.1 -1,-0.1 -0.724 25.5-156.8 -81.9 130.2 -3.9 12.6 16.0 91 152 A L > - 0 0 13 -2,-0.4 3,-0.7 52,-0.1 51,-0.1 -0.922 12.0-178.3-112.7 108.6 -5.3 16.1 15.8 92 153 A S T 3 + 0 0 55 -2,-0.6 51,-0.2 1,-0.2 -1,-0.1 0.483 64.1 83.6 -88.3 -2.1 -6.3 17.4 19.3 93 154 A G T 3 S- 0 0 6 49,-1.5 -1,-0.2 1,-0.2 50,-0.2 0.558 86.0-138.2 -81.7 -8.6 -7.7 20.8 18.2 94 155 A G < - 0 0 12 -3,-0.7 48,-2.2 48,-0.4 2,-0.2 -0.255 39.9 -38.1 82.4-173.5 -11.1 19.6 17.2 95 156 A E B >> -F 141 0B 49 46,-0.2 3,-1.2 1,-0.1 4,-0.8 -0.626 45.3-125.6 -88.1 148.2 -13.2 20.6 14.2 96 157 A L H >> S+ 0 0 0 44,-3.6 4,-1.8 41,-0.6 3,-0.8 0.855 110.5 71.2 -55.8 -33.7 -13.2 24.1 12.9 97 158 A F H 3> S+ 0 0 81 40,-1.3 4,-2.4 43,-0.4 -1,-0.3 0.864 91.5 56.4 -47.3 -42.7 -17.0 23.8 13.3 98 159 A M H <> S+ 0 0 89 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.843 105.3 50.6 -64.5 -35.1 -16.6 23.8 17.1 99 160 A Q H - 0 0 129 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.354 39.2-104.7 -62.4 158.7 -14.1 38.7 13.3 108 169 A E H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.860 119.7 50.9 -63.2 -37.2 -12.6 39.3 9.9 109 170 A D H > S+ 0 0 128 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.805 109.4 52.7 -73.2 -23.0 -8.9 38.8 10.9 110 171 A T H > S+ 0 0 17 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.953 113.3 43.4 -67.8 -50.7 -9.9 35.5 12.6 111 172 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.908 109.7 57.6 -58.2 -45.4 -11.6 34.4 9.3 112 173 A C H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.914 104.1 52.4 -55.1 -48.2 -8.7 35.6 7.2 113 174 A F H X S+ 0 0 13 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.949 114.1 40.3 -51.9 -58.0 -6.2 33.4 9.1 114 175 A Y H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.928 116.6 49.2 -62.4 -44.9 -8.2 30.2 8.6 115 176 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.878 110.3 52.3 -64.4 -37.6 -9.2 30.9 5.0 116 177 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.942 111.0 46.0 -62.7 -49.1 -5.6 31.8 4.2 117 178 A E H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.6 0.943 112.9 50.9 -58.9 -45.1 -4.3 28.5 5.6 118 179 A I H 3X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.879 104.0 58.2 -59.1 -37.4 -7.0 26.6 3.8 119 180 A S H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.831 104.9 50.7 -65.1 -30.8 -6.1 28.3 0.5 120 181 A M H S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 4,-0.3 0.900 111.4 54.3 -61.5 -40.7 -4.1 19.6 -3.7 126 187 A H H ><5S+ 0 0 17 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.899 104.1 53.2 -63.7 -40.8 -4.9 21.3 -6.9 127 188 A Q H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.1 50.6 -60.4 -29.1 -1.3 21.0 -8.1 128 189 A K T 3<5S- 0 0 90 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.426 122.4-105.5 -89.2 -1.1 -1.6 17.3 -7.4 129 190 A G T < 5S+ 0 0 68 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.619 76.3 135.7 88.0 14.5 -4.8 16.9 -9.4 130 191 A I < - 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0 0 159 -5,-0.6 -1,-0.2 2,-0.0 2,-0.1 -0.738 27.4-150.9 -91.6 91.9 -28.7 35.2 -5.6 226 287 A L - 0 0 39 -2,-1.2 2,-0.7 18,-0.2 -17,-0.1 -0.383 11.6-153.1 -75.1 134.9 -26.1 36.4 -3.1 227 288 A N - 0 0 114 -19,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.897 12.7-157.7-101.4 103.5 -27.0 38.6 -0.2 228 289 A L - 0 0 32 -2,-0.7 9,-0.0 2,-0.0 -28,-0.0 -0.735 18.4-125.7 -83.9 121.3 -23.9 40.6 0.8 229 290 A P > - 0 0 7 0, 0.0 3,-1.1 0, 0.0 8,-0.0 -0.421 12.6-140.0 -60.5 129.8 -24.1 41.8 4.5 230 291 A P T 3 S+ 0 0 98 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 0.748 94.2 64.2 -66.6 -24.7 -23.6 45.6 4.5 231 292 A Y T 3 S+ 0 0 186 2,-0.0 2,-0.1 3,-0.0 3,-0.1 0.540 80.3 98.7 -82.5 -6.6 -21.4 45.6 7.7 232 293 A L S < S- 0 0 16 -3,-1.1 -28,-0.0 1,-0.1 -4,-0.0 -0.485 85.6 -97.2 -77.6 152.5 -18.6 43.6 6.1 233 294 A T > - 0 0 54 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.232 32.1-112.4 -61.7 157.7 -15.5 45.4 4.8 234 295 A Q H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.810 118.7 56.4 -62.3 -30.0 -15.3 46.1 1.1 235 296 A E H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 32,-0.3 0.904 108.7 44.1 -66.5 -44.5 -12.5 43.6 0.9 236 297 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.910 115.7 48.8 -69.3 -40.8 -14.5 40.8 2.4 237 298 A R H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 110.1 50.6 -67.9 -39.2 -17.5 41.7 0.3 238 299 A D H X S+ 0 0 43 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.919 112.1 47.3 -64.3 -42.4 -15.5 41.9 -2.9 239 300 A L H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 3,-0.3 0.910 110.8 50.8 -65.0 -44.9 -13.9 38.4 -2.3 240 301 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.902 109.3 52.2 -57.9 -43.4 -17.2 36.7 -1.5 241 302 A K H < S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.5 47.0 -62.8 -30.4 -18.7 38.2 -4.7 242 303 A K H < S+ 0 0 85 -4,-1.1 10,-2.3 -3,-0.3 -1,-0.2 0.661 116.7 42.4 -88.8 -18.4 -15.9 36.7 -6.7 243 304 A L H < S+ 0 0 1 -4,-1.4 2,-1.7 -3,-0.3 -2,-0.2 0.858 106.4 59.7 -88.7 -45.7 -16.0 33.3 -5.1 244 305 A L S < S+ 0 0 5 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.498 73.8 134.4 -90.6 69.2 -19.7 32.7 -5.0 245 306 A K - 0 0 70 -2,-1.7 6,-0.1 -3,-0.2 -21,-0.1 -0.960 55.5-140.8-118.1 138.7 -20.5 32.9 -8.7 246 307 A R S S+ 0 0 130 -2,-0.4 2,-1.1 -22,-0.2 -67,-0.1 0.848 91.2 77.5 -63.3 -36.1 -22.7 30.5 -10.6 247 308 A N S > S- 0 0 105 1,-0.2 3,-1.2 3,-0.1 4,-0.2 -0.665 71.7-163.1 -78.6 101.7 -20.4 30.6 -13.6 248 309 A A G > S+ 0 0 20 -2,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.847 82.9 55.7 -57.8 -42.9 -17.6 28.3 -12.4 249 310 A A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.755 105.0 55.3 -65.6 -23.9 -14.9 29.4 -14.9 250 311 A S G < S+ 0 0 43 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.369 82.5 110.7 -93.4 4.0 -15.3 33.1 -13.8 251 312 A R S X S- 0 0 3 -3,-1.6 3,-2.1 -4,-0.2 4,-0.5 -0.475 83.4 -96.6 -71.5 149.7 -14.7 32.5 -10.1 252 313 A L T 3 S+ 0 0 30 -10,-2.3 -1,-0.1 1,-0.3 10,-0.1 -0.493 116.7 25.4 -61.6 130.4 -11.5 33.8 -8.5 253 314 A G T 3 S+ 0 0 0 -2,-0.2 -1,-0.3 -4,-0.1 5,-0.2 0.189 94.0 101.1 97.1 -16.4 -9.1 30.9 -8.5 254 315 A A S < S+ 0 0 11 -3,-2.1 -65,-0.2 -6,-0.1 -2,-0.1 0.806 70.8 70.7 -72.1 -30.7 -10.8 29.1 -11.4 255 316 A G S > S- 0 0 20 -4,-0.5 3,-1.2 3,-0.1 6,-0.1 0.100 110.6 -75.9 -74.0-168.7 -8.2 30.3 -13.9 256 317 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.780 124.3 67.6 -61.9 -31.7 -4.5 29.2 -14.3 257 318 A G T >> S+ 0 0 39 1,-0.2 3,-1.5 2,-0.1 4,-0.8 0.717 74.7 168.4 -66.3 -21.4 -3.5 31.3 -11.2 258 319 A D H X> - 0 0 11 -3,-1.2 4,-1.2 1,-0.3 3,-0.8 -0.139 68.5 -0.3 45.3-127.8 -5.5 29.0 -8.9 259 320 A A H 3> S+ 0 0 7 1,-0.3 4,-3.3 2,-0.2 -1,-0.3 0.830 132.1 59.4 -59.9 -36.9 -4.6 29.6 -5.3 260 321 A G H <> S+ 0 0 43 -3,-1.5 4,-0.8 1,-0.2 -1,-0.3 0.853 103.3 54.5 -62.1 -31.6 -2.1 32.3 -6.1 261 322 A E H << S+ 0 0 68 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.874 113.2 40.3 -69.3 -38.4 -4.9 34.2 -7.8 262 323 A V H >< S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.2 6,-0.2 0.885 111.2 57.2 -76.2 -39.7 -7.0 34.1 -4.6 263 324 A Q H 3< S+ 0 0 39 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.660 98.8 62.3 -65.6 -16.2 -4.1 34.7 -2.3 264 325 A A T 3< S+ 0 0 81 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.481 78.3 115.8 -87.1 -2.5 -3.4 38.0 -4.2 265 326 A H S X S- 0 0 11 -3,-1.8 3,-2.5 1,-0.1 -3,-0.0 -0.473 77.8-119.9 -72.4 137.8 -6.8 39.4 -3.2 266 327 A P G > S+ 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.679 108.7 72.2 -46.1 -28.2 -6.8 42.5 -1.0 267 328 A F G 3 S+ 0 0 10 -32,-0.3 3,-0.3 1,-0.3 -31,-0.1 0.830 103.3 41.5 -58.1 -33.6 -8.7 40.6 1.7 268 329 A F G X S+ 0 0 3 -3,-2.5 3,-1.8 -6,-0.2 -1,-0.3 0.127 78.7 120.4 -98.8 20.3 -5.5 38.7 2.4 269 330 A R T < S+ 0 0 140 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.752 71.1 54.3 -63.3 -23.8 -3.1 41.7 2.1 270 331 A H T 3 S+ 0 0 149 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.495 86.1 107.8 -84.6 -4.7 -1.7 41.3 5.7 271 332 A I < - 0 0 33 -3,-1.8 2,-0.7 -8,-0.1 3,-0.1 -0.626 55.7-157.6 -81.4 127.4 -0.7 37.7 5.2 272 333 A N > - 0 0 71 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.931 9.9-159.7 -95.2 110.1 3.0 36.8 4.8 273 334 A W H > S+ 0 0 67 -2,-0.7 4,-1.8 1,-0.2 5,-0.1 0.732 87.0 56.5 -71.0 -21.0 2.6 33.5 3.0 274 335 A E H > S+ 0 0 143 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.926 111.3 40.8 -70.9 -48.8 6.1 32.4 4.0 275 336 A E H 4>S+ 0 0 81 2,-0.2 5,-2.4 1,-0.2 6,-0.5 0.910 115.0 52.6 -65.9 -42.7 5.4 32.8 7.8 276 337 A L H ><5S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 5,-0.2 0.960 110.1 46.6 -58.6 -53.6 1.9 31.3 7.4 277 338 A L H 3<5S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 111.2 53.1 -58.4 -34.9 3.2 28.2 5.6 278 339 A A T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.477 113.6-123.2 -77.0 -2.5 5.9 27.9 8.3 279 340 A R T < 5S+ 0 0 78 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.899 74.0 128.3 56.6 46.8 3.2 28.0 10.9 280 341 A K < + 0 0 150 -5,-2.4 2,-0.4 -6,-0.1 -4,-0.2 0.449 41.5 96.5-104.4 -10.3 4.8 31.1 12.6 281 342 A V S S- 0 0 43 -6,-0.5 0, 0.0 -5,-0.2 0, 0.0 -0.725 83.6-119.1 -82.2 129.6 1.6 33.1 12.6 282 343 A E - 0 0 86 -2,-0.4 -2,-0.1 1,-0.1 -136,-0.1 -0.552 29.1-123.5 -71.2 129.4 -0.2 32.8 15.9 283 344 A P - 0 0 17 0, 0.0 -136,-0.1 0, 0.0 -1,-0.1 -0.335 13.7-121.2 -69.7 155.9 -3.7 31.3 15.5 284 345 A P S S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -174,-0.1 0.795 97.9 36.3 -69.7 -27.4 -6.7 33.1 16.8 285 346 A F - 0 0 32 -139,-0.2 3,-0.1 -175,-0.1 -186,-0.0 -0.992 67.0-153.7-130.4 137.1 -7.7 30.3 19.1 286 347 A K > - 0 0 78 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.912 3.0-162.7-107.2 105.2 -5.5 27.9 21.1 287 348 A P G > S+ 0 0 22 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.810 90.4 63.5 -56.9 -32.0 -7.3 24.6 21.6 288 349 A L G 3 S+ 0 0 122 -144,-0.6 -143,-0.1 1,-0.3 -144,-0.0 0.759 105.1 45.8 -59.9 -28.6 -4.8 23.8 24.4 289 350 A L G < S+ 0 0 139 -3,-1.9 2,-0.8 2,-0.0 -1,-0.3 0.329 86.7 118.1 -98.4 5.0 -6.1 26.8 26.4 290 351 A Q < 0 0 63 -3,-1.4 -5,-0.0 -4,-0.2 0, 0.0 -0.673 360.0 360.0 -89.8 111.6 -9.8 26.0 25.8 291 352 A S 0 0 187 -2,-0.8 -1,-0.2 0, 0.0 -3,-0.0 0.816 360.0 360.0 -70.6 360.0 -11.8 25.3 28.9