==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-12 4B3F . COMPND 2 MOLECULE: DNA-BINDING PROTEIN SMUBP-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.C.LIM,H.SONG . 625 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 0 1 1 2 0 2 2 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 2 5 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 3 X S > 0 0 105 0, 0.0 4,-0.6 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 -14.3 33.5 33.1 -3.6 2 4 X A H > + 0 0 57 2,-0.2 4,-2.3 3,-0.1 5,-0.3 0.870 360.0 43.1 -96.7 -58.1 29.7 32.6 -3.9 3 5 X A H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.796 119.0 52.1 -54.7 -28.2 28.6 32.5 -0.3 4 6 X V H > S+ 0 0 13 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.900 104.7 52.6 -74.2 -45.7 31.1 35.4 0.0 5 7 X E H X S+ 0 0 76 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.949 115.8 39.9 -56.0 -51.3 29.6 37.4 -2.8 6 8 X S H X S+ 0 0 65 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.943 112.3 52.0 -68.2 -54.5 26.1 37.2 -1.4 7 9 X F H X S+ 0 0 16 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.924 113.9 49.3 -44.9 -46.6 26.9 37.7 2.3 8 10 X V H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.957 111.0 44.5 -61.3 -57.2 28.9 40.7 1.2 9 11 X T H X S+ 0 0 67 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.868 113.7 53.8 -56.7 -35.9 26.2 42.4 -0.9 10 12 X K H X S+ 0 0 104 -4,-3.0 4,-2.3 -5,-0.2 3,-0.2 0.954 111.8 44.4 -61.0 -50.0 23.7 41.6 1.8 11 13 X Q H X S+ 0 0 12 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.915 106.8 57.2 -60.8 -49.0 25.9 43.4 4.4 12 14 X L H X S+ 0 0 29 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.844 111.4 46.1 -55.0 -34.1 26.7 46.4 2.2 13 15 X D H X S+ 0 0 114 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.950 107.2 54.3 -69.7 -53.7 22.9 46.9 2.0 14 16 X L H X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.788 108.2 56.0 -52.4 -28.0 22.3 46.4 5.7 15 17 X L H X S+ 0 0 6 -4,-2.0 4,-3.8 2,-0.2 5,-0.2 0.988 103.6 45.7 -71.6 -62.5 24.9 49.1 6.2 16 18 X E H X S+ 0 0 63 -4,-1.5 4,-2.8 1,-0.3 5,-0.3 0.808 112.0 57.0 -55.4 -27.8 23.5 52.1 4.2 17 19 X L H X S+ 0 0 84 -4,-1.9 4,-3.2 2,-0.2 -1,-0.3 0.985 113.0 39.1 -59.2 -58.2 20.3 51.2 5.9 18 20 X E H X S+ 0 0 15 -4,-1.9 4,-4.0 2,-0.2 5,-0.3 0.951 117.8 48.5 -54.1 -55.6 22.1 51.7 9.2 19 21 X R H X S+ 0 0 64 -4,-3.8 4,-3.0 1,-0.2 -3,-0.2 0.942 115.7 43.2 -55.6 -52.6 24.0 54.7 8.1 20 22 X D H X S+ 0 0 81 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.934 116.2 50.4 -56.3 -44.8 21.0 56.4 6.6 21 23 X A H X S+ 0 0 11 -4,-3.2 4,-2.3 -5,-0.3 -2,-0.2 0.930 112.8 44.1 -61.0 -49.1 19.1 55.4 9.8 22 24 X E H X S+ 0 0 27 -4,-4.0 4,-2.2 2,-0.2 -1,-0.2 0.920 112.9 53.7 -62.5 -43.8 21.7 56.7 12.1 23 25 X V H >X S+ 0 0 32 -4,-3.0 4,-2.2 -5,-0.3 3,-0.7 0.980 113.2 39.5 -55.2 -63.7 22.1 59.9 10.1 24 26 X E H 3X S+ 0 0 125 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.901 110.4 62.9 -54.5 -40.7 18.4 60.8 10.1 25 27 X E H 3X S+ 0 0 81 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.3 0.909 108.7 40.7 -48.1 -46.6 18.2 59.7 13.7 26 28 X R H - 0 0 63 -2,-0.4 4,-1.3 1,-0.1 3,-0.4 -0.191 17.3-127.6 -65.1 147.1 17.9 72.2 22.4 35 37 X L H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.809 106.3 64.1 -57.0 -30.5 21.7 72.5 22.7 36 38 X K H 4 S+ 0 0 133 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.859 111.8 28.7 -71.5 -38.0 21.2 72.9 26.4 37 39 X E H > S+ 0 0 50 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.480 105.8 72.9-105.1 -3.4 19.8 69.4 27.2 38 40 X L H ><>S+ 0 0 8 -4,-1.3 5,-2.0 2,-0.2 3,-0.5 0.907 105.1 43.9 -63.2 -44.7 21.5 67.7 24.3 39 41 X Q G ><5S+ 0 0 20 -4,-1.4 3,-1.7 4,-0.2 -2,-0.2 0.851 103.3 65.4 -61.2 -37.5 24.4 68.2 26.6 40 42 X S G 345S+ 0 0 86 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.1 46.1 -55.9 -30.4 22.1 67.1 29.4 41 43 X R G <<5S- 0 0 127 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.513 120.3-113.9 -88.8 -7.2 22.2 63.7 27.6 42 44 X G T < 5S+ 0 0 0 -3,-1.7 36,-2.7 -4,-0.3 -3,-0.2 0.795 87.6 110.9 81.4 31.3 26.0 63.9 27.2 43 45 X V S - 0 0 49 -2,-0.3 3,-2.8 24,-0.1 22,-0.3 -0.999 39.7 -82.9-144.0 143.8 34.7 58.3 23.9 81 85 X S T 3 S+ 0 0 5 -2,-0.3 22,-0.2 1,-0.3 154,-0.2 -0.124 117.8 31.1 -41.0 132.7 38.0 58.1 22.1 82 86 X G T 3 S+ 0 0 36 20,-2.2 -1,-0.3 1,-0.3 21,-0.1 0.055 86.4 134.7 100.1 -25.0 37.4 57.5 18.5 83 87 X D < - 0 0 22 -3,-2.8 19,-1.9 18,-0.1 2,-0.4 -0.176 58.5-118.9 -54.6 148.0 34.0 59.3 18.3 84 88 X I E -DE 101 129A 15 45,-0.5 45,-1.8 17,-0.2 2,-0.3 -0.771 37.0-167.3 -87.2 138.5 33.4 61.7 15.4 85 89 X V E -DE 100 128A 0 15,-2.2 15,-2.7 -2,-0.4 2,-0.4 -0.955 17.0-144.5-136.3 144.7 32.9 65.2 16.6 86 90 X G E -DE 99 127A 0 41,-1.9 41,-2.6 -2,-0.3 2,-0.5 -0.910 16.5-145.3-111.3 137.7 31.6 68.5 15.0 87 91 X L E +DE 98 126A 3 11,-2.6 10,-1.8 -2,-0.4 11,-1.1 -0.902 22.3 169.0-113.1 124.1 33.1 71.9 16.0 88 92 X Y E - E 0 125A 10 37,-1.5 37,-2.5 -2,-0.5 2,-0.4 -0.859 26.4-131.5-128.1 159.6 31.0 75.1 16.3 89 93 X D E > - E 0 124A 21 6,-0.4 5,-0.6 -2,-0.3 3,-0.4 -0.918 9.9-143.3-112.0 140.4 31.6 78.7 17.6 90 94 X A T 5S+ 0 0 52 33,-3.3 -1,-0.1 -2,-0.4 4,-0.1 0.945 106.1 40.5 -65.4 -47.9 29.0 80.4 19.8 91 95 X A T 5S+ 0 0 102 32,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.434 104.8 91.7 -81.4 -0.3 29.6 83.8 18.3 92 96 X N T 5S- 0 0 68 -3,-0.4 2,-1.2 31,-0.2 -4,-0.0 -0.438 100.0 -92.1 -88.4 170.1 29.7 82.2 14.8 93 97 X E T 5 - 0 0 160 1,-0.2 3,-0.1 -2,-0.1 -3,-0.1 -0.009 62.2 -97.2 -76.1 34.2 26.8 81.7 12.5 94 98 X G S - F 0 109A 9 3,-1.4 3,-1.1 -2,-0.5 -32,-0.1 -0.509 49.1 -98.0 -96.2 168.9 39.0 63.1 30.8 107 111 X Q T 3 S+ 0 0 122 1,-0.2 -33,-2.4 -2,-0.2 -1,-0.1 0.660 124.1 21.1 -58.5 -16.3 36.5 64.2 33.4 108 112 X K T 3 S+ 0 0 120 -35,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.101 122.2 45.6-146.3 26.2 37.5 67.8 32.7 109 113 X S E < - F 0 106A 19 -3,-1.1 -3,-1.4 -43,-0.1 2,-0.3 -0.970 54.0-158.7-160.0 161.4 39.1 67.9 29.3 110 114 X V E -CF 65 105A 2 -45,-1.8 -45,-3.4 -2,-0.3 2,-0.5 -0.969 7.8-155.2-149.1 129.9 38.5 66.7 25.7 111 115 X T E -CF 64 104A 12 -7,-2.2 -8,-2.5 -2,-0.3 -7,-0.8 -0.909 9.3-174.0-117.4 128.0 41.0 66.3 22.9 112 116 X V E -CF 63 102A 0 -49,-2.7 -49,-2.6 -2,-0.5 2,-0.4 -0.915 13.7-146.5-119.4 139.9 40.1 66.3 19.2 113 117 X A E -CF 62 101A 1 -12,-2.2 -12,-1.3 -2,-0.4 -51,-0.2 -0.875 24.7-163.0-103.7 142.8 42.4 65.6 16.2 114 118 X F 0 0 25 -53,-1.1 -53,-0.3 -2,-0.4 -14,-0.1 -0.543 360.0 360.0-122.5-177.4 41.8 67.5 13.0 115 119 X D 0 0 178 -16,-0.4 -55,-0.1 -2,-0.2 -1,-0.1 0.947 360.0 360.0 65.0 360.0 42.5 67.6 9.2 116 ! 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 0.0 117 127 X S 0 0 161 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.0 41.2 79.9 13.1 118 128 X L - 0 0 31 2,-0.0 2,-0.3 -65,-0.0 -65,-0.0 -0.750 360.0-160.0 -95.2 122.4 41.0 78.8 16.8 119 129 X D - 0 0 82 -2,-0.6 -69,-0.5 3,-0.2 3,-0.4 -0.771 24.8-130.9-103.4 140.3 41.2 81.4 19.5 120 130 X R S S+ 0 0 150 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.471 96.7 75.3 -63.6 -0.0 42.0 80.8 23.2 121 131 X E S S- 0 0 130 1,-0.3 -1,-0.2 -72,-0.1 -72,-0.1 -0.367 85.9-143.5-119.2 54.5 39.0 82.9 24.1 122 132 X N + 0 0 14 -3,-0.4 -1,-0.3 -2,-0.2 -3,-0.2 0.246 62.2 145.1 57.9 177.7 35.8 80.9 23.4 123 133 X S + 0 0 25 -75,-0.3 -33,-3.3 1,-0.1 -31,-0.2 -0.017 39.9 153.8-123.6 104.5 33.2 80.1 22.7 124 134 X Y E -AE 48 89A 4 -76,-2.1 -76,-3.1 -35,-0.2 -77,-0.5 -0.374 22.1-158.3 -93.6 156.5 33.2 76.6 21.2 125 135 X R E - E 0 88A 46 -37,-2.5 -37,-1.5 -78,-0.2 2,-0.4 -0.866 6.6-152.6-121.5 156.4 30.6 73.8 21.0 126 136 X L E -AE 45 87A 0 -81,-2.1 -81,-2.6 -2,-0.3 2,-0.5 -0.966 11.4-169.8-138.9 121.3 31.2 70.1 20.4 127 137 X L E -AE 44 86A 18 -41,-2.6 -41,-1.9 -2,-0.4 2,-0.3 -0.929 21.2-130.6-123.7 117.6 28.6 67.8 18.7 128 138 X K E - E 0 85A 34 -85,-1.8 2,-0.3 -2,-0.5 -43,-0.2 -0.462 36.6-178.9 -64.7 121.2 28.6 64.1 18.5 129 139 X L E - E 0 84A 29 -45,-1.8 -45,-0.5 -2,-0.3 -106,-0.1 -0.761 36.4 -71.0-120.9 163.3 28.0 63.1 14.9 130 140 X A - 0 0 20 -2,-0.3 2,-1.3 1,-0.1 -1,-0.1 -0.167 50.7-116.3 -46.0 142.2 27.6 59.8 12.9 131 141 X N > + 0 0 31 1,-0.2 4,-1.8 2,-0.1 3,-0.1 -0.694 39.0 172.7 -91.2 89.8 31.0 58.0 12.6 132 142 X D H > S+ 0 0 52 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.720 74.4 62.5 -72.0 -21.2 31.5 58.1 8.8 133 143 X V H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.950 103.3 47.8 -66.9 -49.1 35.0 56.6 9.2 134 144 X T H > S+ 0 0 37 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.947 113.0 49.2 -54.9 -50.7 33.6 53.4 10.7 135 145 X Y H X S+ 0 0 22 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.943 112.1 48.4 -54.0 -48.1 31.1 53.2 7.9 136 146 X R H X S+ 0 0 133 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.861 115.0 44.7 -63.9 -37.7 33.8 53.8 5.3 137 147 X R H >X S+ 0 0 52 -4,-2.9 4,-2.5 2,-0.2 3,-1.7 0.973 112.8 49.1 -68.0 -58.0 36.1 51.2 6.9 138 148 X L H 3X S+ 0 0 9 -4,-2.9 4,-1.2 1,-0.3 -2,-0.2 0.893 108.7 54.8 -45.0 -47.5 33.4 48.5 7.3 139 149 X K H 3X S+ 0 0 89 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.3 0.774 113.1 44.1 -59.6 -24.8 32.3 49.1 3.7 140 150 X K H < S+ 0 0 2 -4,-1.4 3,-2.4 -5,-0.2 -2,-0.2 0.989 111.2 45.9 -62.6 -63.0 36.9 40.3 1.7 146 156 X K H 3< S+ 0 0 75 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.802 115.7 49.5 -54.9 -29.9 34.7 39.6 -1.4 147 157 X K T 3< S+ 0 0 144 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 -0.094 85.2 138.0 -98.7 33.9 37.8 40.5 -3.5 148 158 X Y < - 0 0 48 -3,-2.4 -3,-0.1 1,-0.1 3,-0.0 -0.582 33.5-165.0 -84.0 147.8 40.1 38.2 -1.5 149 159 X H - 0 0 116 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.392 43.8 -45.6-102.9-136.4 42.6 36.2 -3.4 150 160 X S S S+ 0 0 111 3,-0.0 -1,-0.1 4,-0.0 3,-0.0 -0.948 83.9 120.4-106.1 112.2 44.8 33.2 -2.5 151 161 X G S > S- 0 0 18 -2,-0.6 3,-2.5 1,-0.0 4,-0.3 -0.913 77.2 -70.5-156.4-177.8 46.4 33.9 0.9 152 162 X P T > S+ 0 0 46 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.859 126.2 57.2 -47.9 -41.6 47.0 32.8 4.5 153 163 X A T 3> S+ 0 0 1 1,-0.2 4,-1.7 222,-0.2 223,-0.1 0.590 81.6 95.2 -69.6 -10.5 43.4 33.8 5.3 154 164 X S H <> S+ 0 0 34 -3,-2.5 4,-1.4 1,-0.2 3,-0.2 0.896 85.0 41.3 -48.6 -56.6 42.1 31.4 2.6 155 165 X S H <> S+ 0 0 58 -3,-0.6 4,-2.1 -4,-0.3 5,-0.2 0.908 109.6 56.9 -64.1 -45.4 41.3 28.4 4.8 156 166 X L H > S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.886 106.2 53.5 -51.3 -39.5 39.8 30.3 7.7 157 167 X I H X S+ 0 0 18 -4,-1.7 4,-2.7 2,-0.2 6,-0.3 0.888 105.1 51.2 -68.6 -43.2 37.3 31.8 5.3 158 168 X E H <>S+ 0 0 84 -4,-1.4 6,-0.8 2,-0.2 5,-0.6 0.985 114.8 43.8 -52.9 -60.7 36.1 28.4 3.9 159 169 X V H ><5S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.906 114.3 50.3 -52.1 -47.9 35.6 27.2 7.5 160 170 X L H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 116.0 41.8 -61.3 -37.2 33.9 30.5 8.4 161 171 X F T 3<5S- 0 0 27 -4,-2.7 2,-0.4 -3,-0.3 -1,-0.3 0.064 111.8-115.4-102.0 24.4 31.6 30.4 5.4 162 172 X G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 1,-0.1 -4,-0.1 0.165 84.5 118.4 72.0 -21.7 30.8 26.6 5.6 163 173 X R S S- 0 0 58 1,-0.1 3,-0.5 33,-0.1 -1,-0.1 -0.716 71.5-171.6 -83.9 119.7 48.2 31.9 35.6 180 190 X T T 3 S+ 0 0 127 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.621 72.9 64.0 -92.6 -14.0 48.4 29.3 38.3 181 191 X C T 3 + 0 0 108 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.056 69.2 138.0-104.9 30.6 44.9 29.7 39.7 182 192 X L < - 0 0 9 -3,-0.5 -5,-0.0 1,-0.1 2,-0.0 -0.638 50.6-127.8 -82.3 128.7 42.9 28.5 36.7 183 193 X D >> - 0 0 26 -2,-0.4 4,-2.1 1,-0.1 3,-1.5 -0.330 30.7-104.3 -65.9 157.5 39.9 26.2 37.2 184 194 X T H 3> S+ 0 0 101 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.833 120.6 60.8 -53.2 -39.8 39.7 23.0 35.1 185 195 X S H 3> S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.839 109.6 41.2 -52.7 -40.0 37.1 24.5 32.9 186 196 X Q H <> S+ 0 0 7 -3,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.861 107.7 59.6 -81.7 -39.2 39.6 27.3 31.8 187 197 X K H X S+ 0 0 74 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.826 109.4 45.9 -56.5 -32.8 42.6 25.1 31.5 188 198 X E H X S+ 0 0 115 -4,-1.5 4,-3.2 -5,-0.2 -1,-0.2 0.869 108.6 53.0 -82.3 -39.8 40.7 23.1 28.9 189 199 X A H X S+ 0 0 1 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.946 112.7 47.4 -55.2 -50.6 39.4 26.1 27.0 190 200 X V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.978 114.2 45.0 -52.0 -62.5 43.0 27.3 26.8 191 201 X L H X S+ 0 0 53 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.899 115.3 48.4 -49.6 -48.8 44.4 23.9 25.7 192 202 X F H >X S+ 0 0 32 -4,-3.2 4,-1.5 1,-0.2 3,-1.0 0.957 109.7 52.6 -57.2 -48.7 41.6 23.5 23.2 193 203 X A H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.823 107.4 49.6 -62.1 -40.0 42.1 27.0 21.7 194 204 X L H 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.766 109.1 56.8 -65.8 -25.5 45.8 26.6 21.1 195 205 X S H << S+ 0 0 11 -4,-1.1 -25,-1.1 -3,-1.0 -2,-0.2 0.822 84.1 89.5 -81.4 -36.0 45.1 23.3 19.4 196 206 X Q < - 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