==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-98 1VSL . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT- . AUTHOR J.LUBKOWSKI,F.YANG,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 54 A G 0 0 116 0, 0.0 2,-2.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.3 22.7 30.4 52.2 2 55 A L + 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.195 360.0 103.1 -76.4 51.6 24.5 27.2 53.2 3 56 A G S S- 0 0 52 -2,-2.7 0, 0.0 1,-0.2 0, 0.0 -0.980 79.4 -63.8-147.4 151.2 27.5 28.0 51.1 4 57 A P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.569 46.0 -96.3 -77.0-174.6 30.6 29.2 52.6 5 58 A L - 0 0 126 1,-0.1 2,-1.7 26,-0.1 26,-0.3 -0.573 23.0-131.4 -95.4 135.0 31.8 32.2 54.6 6 59 A Q + 0 0 92 -2,-0.3 57,-1.8 24,-0.1 58,-1.4 -0.564 51.0 144.7 -81.6 76.5 33.6 35.2 53.1 7 60 A I E -a 64 0A 58 -2,-1.7 23,-2.5 56,-0.2 24,-0.5 -0.966 29.7-158.9-121.9 132.4 36.6 35.6 55.4 8 61 A W E -aB 65 29A 4 56,-2.1 58,-3.4 -2,-0.4 2,-0.4 -0.865 10.4-153.8-108.8 158.9 40.1 36.7 54.4 9 62 A Q E -aB 66 28A 15 19,-2.3 19,-2.8 -2,-0.3 2,-0.3 -1.000 22.0-175.9-127.4 131.3 43.5 36.3 55.8 10 63 A T E + B 0 27A 0 56,-1.7 58,-0.3 -2,-0.4 2,-0.3 -0.944 11.1 151.9-129.2 144.8 46.0 39.0 54.9 11 64 A N E - B 0 26A 12 15,-2.2 15,-3.2 -2,-0.3 2,-0.4 -0.929 36.2-116.5-160.6 165.7 49.7 39.5 55.6 12 65 A F E - B 0 25A 30 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.966 28.1-176.3-106.2 141.9 52.9 41.1 54.1 13 66 A T E - B 0 24A 19 11,-2.5 11,-2.8 -2,-0.4 2,-0.5 -0.950 25.1-115.4-136.4 151.0 55.9 39.0 53.1 14 67 A L E + B 0 23A 79 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.775 30.4 172.3 -94.4 129.6 59.3 40.1 51.9 15 68 A E > - 0 0 16 7,-2.8 3,-2.2 -2,-0.5 -2,-0.0 -0.752 12.8-172.4-140.6 99.9 60.5 39.3 48.4 16 69 A P G > S+ 0 0 85 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.555 81.3 72.6 -69.7 -19.4 63.8 40.9 47.2 17 70 A R G 3 S+ 0 0 35 1,-0.2 110,-2.8 109,-0.2 108,-0.1 0.642 99.7 51.8 -64.0 -17.8 63.4 39.7 43.6 18 71 A M G X S+ 0 0 0 -3,-2.2 3,-0.7 108,-0.2 -1,-0.2 0.210 95.9 172.7-100.3 10.3 60.7 42.4 43.4 19 72 A A T < + 0 0 29 -3,-1.2 110,-0.1 1,-0.3 108,-0.1 -0.268 55.5 33.8 -64.6 142.3 62.9 45.2 44.8 20 73 A P T 3 S+ 0 0 90 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.974 135.0 35.0 -70.5 -31.5 62.5 48.3 45.1 21 74 A R S < S+ 0 0 110 -3,-0.7 19,-0.2 1,-0.2 20,-0.2 -0.503 78.1 145.0 -86.4 72.2 58.9 47.4 45.8 22 75 A S + 0 0 18 -2,-1.4 -7,-2.8 19,-0.2 2,-0.7 0.438 33.0 99.3 -99.0 -0.4 59.6 44.1 47.6 23 76 A W E -BC 14 40A 72 17,-2.1 17,-2.4 -9,-0.2 2,-0.5 -0.787 57.2-163.1 -86.0 110.2 56.8 44.1 50.2 24 77 A L E -BC 13 39A 0 -11,-2.8 -11,-2.5 -2,-0.7 2,-0.6 -0.908 8.3-152.5 -97.8 121.1 54.1 41.8 48.9 25 78 A A E -BC 12 38A 0 13,-1.9 13,-1.7 -2,-0.5 2,-0.4 -0.895 21.4-166.9 -89.0 123.2 50.7 42.2 50.5 26 79 A V E -BC 11 37A 0 -15,-3.2 -15,-2.2 -2,-0.6 2,-0.4 -0.977 10.5-172.6-123.3 132.7 49.0 38.7 50.1 27 80 A T E -BC 10 36A 0 9,-2.6 9,-2.7 -2,-0.4 2,-0.5 -0.988 4.8-165.3-127.5 126.1 45.4 37.9 50.7 28 81 A V E -BC 9 35A 6 -19,-2.8 -19,-2.3 -2,-0.4 2,-0.8 -0.935 18.2-140.1-110.4 129.8 43.8 34.5 50.7 29 82 A D E > -B 8 0A 19 5,-2.3 4,-2.2 -2,-0.5 5,-0.2 -0.872 15.7-151.4 -80.0 110.2 40.0 34.1 50.5 30 83 A T T 4 S+ 0 0 43 -23,-2.5 -1,-0.1 -2,-0.8 -22,-0.1 0.838 89.6 51.4 -62.2 -24.9 39.6 31.2 53.0 31 84 A A T 4 S+ 0 0 45 -24,-0.5 -1,-0.1 -26,-0.3 -25,-0.1 0.990 126.2 19.1 -70.9 -70.3 36.4 30.0 51.2 32 85 A S T 4 S- 0 0 74 1,-0.1 -2,-0.2 -28,-0.1 -1,-0.2 0.516 92.1-132.2 -79.0 -9.9 37.7 29.9 47.6 33 86 A S < + 0 0 61 -4,-2.2 -3,-0.1 1,-0.2 2,-0.1 0.640 51.8 156.9 58.4 18.6 41.4 29.8 48.3 34 87 A A - 0 0 21 -5,-0.2 -5,-2.3 -6,-0.0 2,-0.5 -0.418 33.0-140.4 -68.4 144.9 41.8 32.5 45.7 35 88 A I E -C 28 0A 12 105,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.954 17.3-172.2-116.8 129.3 44.9 34.6 46.1 36 89 A V E +C 27 0A 2 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.3 -0.972 11.6 177.5-115.4 134.6 45.3 38.3 45.6 37 90 A V E -C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.960 6.0-180.0-136.3 144.3 48.8 39.9 45.8 38 91 A T E -C 25 0A 20 -13,-1.7 -13,-1.9 -2,-0.3 2,-0.4 -0.979 25.9-115.9-137.0 165.0 50.1 43.5 45.3 39 92 A Q E +C 24 0A 21 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.788 32.0 175.6-106.9 139.3 53.5 45.2 45.4 40 93 A H E -C 23 0A 25 -17,-2.4 -17,-2.1 -2,-0.4 3,-0.1 -0.971 31.2-146.3-144.1 148.5 54.4 47.9 47.9 41 94 A G S S+ 0 0 42 -2,-0.3 2,-0.3 1,-0.2 -19,-0.2 0.799 88.0 14.7 -84.6 -24.1 57.5 49.9 48.7 42 95 A R S S- 0 0 189 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.990 77.5-115.7-150.3 143.7 56.9 50.1 52.5 43 96 A V + 0 0 52 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.810 58.3 141.9 -91.0 104.6 54.6 48.3 54.9 44 97 A T > - 0 0 62 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.912 67.2 -99.5-131.2 166.4 52.3 51.0 56.1 45 98 A S H > S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.927 126.5 51.0 -53.2 -44.0 48.6 51.4 57.1 46 99 A V H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 105.2 55.1 -67.3 -32.6 48.1 53.0 53.7 47 100 A A H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.963 109.1 48.8 -64.8 -41.0 49.9 50.0 52.0 48 101 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 113.1 47.3 -59.9 -45.1 47.4 47.7 53.7 49 102 A Q H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.1 50.2 -64.7 -43.4 44.3 49.8 52.6 50 103 A H H X S+ 0 0 119 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.887 112.2 49.9 -61.1 -40.8 45.4 50.2 49.0 51 104 A H H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.939 111.5 46.0 -60.7 -55.8 45.9 46.4 48.8 52 105 A W H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.832 107.4 59.2 -60.7 -34.1 42.5 45.6 50.3 53 106 A A H X S+ 0 0 45 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.882 109.9 43.5 -59.8 -42.0 41.0 48.2 47.9 54 107 A T H X S+ 0 0 63 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.864 112.5 52.0 -63.1 -48.1 42.3 46.1 45.0 55 108 A A H X>S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 5,-0.5 0.884 108.6 51.3 -60.5 -40.0 41.3 42.7 46.6 56 109 A I H X5S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.944 108.0 50.8 -63.5 -47.3 37.7 44.0 47.1 57 110 A A H <5S+ 0 0 90 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.857 120.6 38.6 -56.5 -33.3 37.5 45.1 43.5 58 111 A V H <5S+ 0 0 84 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.917 133.1 17.6 -83.2 -49.8 38.7 41.5 42.6 59 112 A L H <5S- 0 0 52 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.516 105.1-116.5-103.4 -15.5 37.0 39.2 45.0 60 113 A G << - 0 0 34 -4,-2.2 -1,-0.3 -5,-0.5 -2,-0.1 -0.414 52.4 -40.9 96.2 175.9 34.1 41.4 46.3 61 114 A R - 0 0 144 -2,-0.1 2,-0.2 -4,-0.1 -55,-0.1 -0.640 58.0-145.9 -82.0 131.7 33.6 42.6 49.8 62 115 A P - 0 0 1 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.654 15.0-133.3 -90.6 168.0 34.3 40.2 52.7 63 116 A K S S+ 0 0 112 -57,-1.8 25,-2.4 1,-0.2 2,-0.3 0.847 89.1 9.7 -84.6 -35.1 32.4 40.0 56.0 64 117 A A E -ad 7 88A 17 -58,-1.4 -56,-2.1 23,-0.2 2,-0.4 -0.998 59.1-150.8-146.9 154.0 35.7 39.8 58.0 65 118 A I E -ad 8 89A 0 23,-2.5 25,-2.1 -2,-0.3 2,-0.6 -0.989 12.7-155.5-125.8 125.5 39.4 40.1 57.6 66 119 A K E +ad 9 90A 6 -58,-3.4 -56,-1.7 -2,-0.4 2,-0.2 -0.920 27.0 150.5-104.5 122.6 41.9 38.2 59.8 67 120 A T - 0 0 0 23,-1.6 2,-0.2 -2,-0.6 -56,-0.1 -0.616 41.5 -99.8-128.5-176.0 45.4 39.6 60.2 68 121 A D - 0 0 28 -58,-0.3 25,-0.2 23,-0.2 -1,-0.1 -0.450 50.6 -81.7 -95.7-161.7 48.0 39.6 62.9 69 122 A N S S+ 0 0 78 23,-0.6 5,-0.1 -2,-0.2 24,-0.1 0.285 76.4 142.2 -88.4 5.7 48.8 42.2 65.5 70 123 A G >> - 0 0 25 1,-0.1 3,-1.5 3,-0.1 4,-0.7 -0.215 57.4-126.5 -50.3 145.7 50.9 44.3 63.1 71 124 A S H 3> S+ 0 0 91 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.773 109.2 62.1 -67.9 -34.6 50.6 48.1 63.4 72 125 A C H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.794 111.0 42.5 -64.3 -17.8 49.7 48.6 59.9 73 126 A F H <4 S+ 0 0 6 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.585 121.0 38.1-103.5 -13.4 46.7 46.4 60.7 74 127 A T H < S+ 0 0 39 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.2 0.321 83.1 117.8-121.5 -1.3 45.7 48.0 64.1 75 128 A S S X S- 0 0 32 -4,-1.7 4,-2.2 -5,-0.2 5,-0.1 -0.195 76.8-114.3 -57.2 168.4 46.4 51.6 63.6 76 129 A K H > S+ 0 0 140 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.836 116.3 63.8 -76.6 -32.3 43.4 54.0 63.9 77 130 A S H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 109.9 36.6 -52.3 -49.2 43.8 54.7 60.2 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.851 112.3 57.4 -77.7 -38.9 43.1 51.1 59.3 79 132 A R H X S+ 0 0 142 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.957 111.4 45.3 -56.7 -40.4 40.4 50.6 61.9 80 133 A E H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.864 110.5 52.3 -69.9 -37.4 38.6 53.5 60.4 81 134 A W H X S+ 0 0 19 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.924 111.8 46.4 -62.8 -45.1 39.0 52.4 56.8 82 135 A L H X>S+ 0 0 4 -4,-2.5 5,-2.1 2,-0.2 4,-1.0 0.897 113.2 49.7 -65.3 -39.7 37.6 48.9 57.7 83 136 A A H ><5S+ 0 0 64 -4,-2.0 3,-0.7 1,-0.3 -2,-0.2 0.913 104.7 57.1 -63.8 -47.4 34.7 50.6 59.6 84 137 A R H 3<5S+ 0 0 147 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.806 114.3 40.7 -51.5 -33.2 34.1 52.8 56.6 85 138 A W H 3<5S- 0 0 81 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.566 108.8-122.4 -94.3 -10.9 33.7 49.5 54.6 86 139 A G T <<5 + 0 0 55 -4,-1.0 2,-0.5 -3,-0.7 -3,-0.2 0.847 61.5 143.4 71.3 36.3 31.7 47.5 57.2 87 140 A I < - 0 0 9 -5,-2.1 -1,-0.3 -23,-0.0 -23,-0.2 -0.909 45.8-134.6-113.4 123.6 34.3 44.7 57.3 88 141 A A E -d 64 0A 60 -25,-2.4 -23,-2.5 -2,-0.5 2,-0.4 -0.499 19.4-152.7 -71.5 160.6 34.9 43.1 60.7 89 142 A H E -d 65 0A 49 -25,-0.2 2,-0.4 -2,-0.2 -23,-0.2 -0.990 13.2-174.3-142.0 131.9 38.4 42.5 61.7 90 143 A T E -d 66 0A 66 -25,-2.1 -23,-1.6 -2,-0.4 2,-0.1 -0.995 14.9-147.8-129.1 126.6 39.9 40.0 64.0 91 144 A T - 0 0 63 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.338 13.3-176.8 -85.1 174.8 43.6 39.9 65.0 92 145 A G - 0 0 13 -2,-0.1 -23,-0.6 6,-0.1 3,-0.2 -0.842 39.2 -91.5-167.9 136.2 45.9 37.0 65.8 93 146 A I S > S- 0 0 113 -2,-0.3 3,-2.2 -25,-0.2 6,-0.1 -0.187 72.6 -67.0 -51.2 144.3 49.5 36.8 66.9 94 147 A P T 3 S- 0 0 80 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.116 120.6 -0.1 -39.3 120.6 51.9 36.6 63.9 95 148 A G T 3 S+ 0 0 25 1,-0.2 5,-0.3 -3,-0.2 6,-0.2 0.197 79.2 172.6 87.3 -18.2 51.5 33.2 62.2 96 149 A N <> - 0 0 28 -3,-2.2 4,-2.3 4,-0.2 5,-0.5 0.046 35.6-134.4 -28.4 105.3 48.7 31.9 64.5 97 150 A S H >> S+ 0 0 97 3,-0.2 4,-1.6 2,-0.2 3,-0.7 0.888 101.0 64.4 -35.6 -50.3 47.7 28.7 62.7 98 151 A Q H 34 S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.851 124.5 9.6 -40.0 -61.8 44.1 29.6 63.2 99 152 A G H 34 S+ 0 0 1 -3,-0.4 -1,-0.3 -6,-0.1 -2,-0.2 0.319 136.2 38.5-111.0 9.8 44.3 32.7 61.1 100 153 A Q H S+ 0 0 85 -5,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.914 113.5 42.7 -62.0 -54.8 46.8 29.5 55.0 103 156 A V H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.846 114.8 53.5 -66.1 -27.3 48.3 32.9 54.1 104 157 A E H X S+ 0 0 91 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.901 109.2 45.9 -71.5 -43.1 51.7 31.5 55.2 105 158 A R H X S+ 0 0 172 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.824 112.9 53.8 -64.4 -37.7 51.3 28.5 52.9 106 159 A A H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.925 101.7 57.0 -57.4 -50.7 50.3 31.1 50.3 107 160 A N H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.901 110.7 45.4 -47.1 -46.6 53.4 33.1 50.9 108 161 A R H X S+ 0 0 155 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.908 111.0 48.6 -68.1 -48.6 55.5 30.1 50.0 109 162 A L H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 114.5 49.9 -57.9 -37.7 53.6 29.0 46.9 110 163 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.934 111.6 44.2 -67.9 -51.5 53.8 32.6 45.7 111 164 A K H X S+ 0 0 67 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.940 114.0 51.5 -66.6 -36.0 57.5 33.1 46.2 112 165 A D H X S+ 0 0 63 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 111.6 47.2 -59.0 -47.4 58.2 29.7 44.7 113 166 A K H X S+ 0 0 66 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.852 109.9 53.5 -66.5 -30.5 56.1 30.5 41.6 114 167 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 110.5 47.8 -71.4 -38.6 57.8 33.9 41.4 115 168 A R H X S+ 0 0 85 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.898 110.8 49.7 -66.2 -48.7 61.2 32.2 41.4 116 169 A V H X S+ 0 0 75 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.984 115.9 41.8 -57.0 -51.8 60.3 29.6 38.8 117 170 A L H X S+ 0 0 36 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.935 115.6 50.6 -64.1 -40.5 58.9 32.1 36.3 118 171 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.2 3,-0.7 0.938 111.4 46.0 -64.1 -50.0 61.7 34.6 36.9 119 172 A E H ><5S+ 0 0 68 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.859 105.7 62.9 -65.5 -24.4 64.5 32.1 36.4 120 173 A G H 3<5S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 103.9 46.3 -70.9 -31.7 62.7 30.8 33.3 121 174 A D T <<5S- 0 0 92 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.313 129.2-102.4 -87.9 9.1 63.1 34.2 31.7 122 175 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.915 78.6 137.2 75.8 34.8 66.7 34.1 32.8 123 176 A F < + 0 0 50 -5,-2.1 -1,-0.2 -8,-0.2 -2,-0.1 -0.897 19.6 168.9-112.0 100.8 66.4 36.4 35.8 124 177 A M S S+ 0 0 106 -2,-0.6 -1,-0.1 2,-0.1 -5,-0.1 0.810 70.9 11.4 -85.0 -31.5 68.4 34.7 38.6 125 178 A K S S+ 0 0 171 1,-0.4 2,-0.3 -7,-0.1 -2,-0.1 0.515 125.0 10.0-109.2 -98.8 68.5 37.5 41.2 126 179 A R - 0 0 108 -108,-0.1 -1,-0.4 1,-0.0 -109,-0.2 -0.591 68.9-127.4 -89.6 139.8 66.4 40.6 40.8 127 180 A I - 0 0 0 -110,-2.8 5,-0.1 -2,-0.3 2,-0.1 -0.725 38.2-103.0 -81.0 130.3 63.6 40.9 38.3 128 181 A P >> - 0 0 41 0, 0.0 3,-3.0 0, 0.0 4,-0.7 -0.339 30.5-118.3 -50.3 134.0 63.9 44.1 36.1 129 182 A T H >> S+ 0 0 75 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.814 109.9 60.0 -45.1 -41.4 61.5 46.7 37.4 130 183 A S H 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.520 110.0 41.7 -71.2 -11.1 59.6 46.8 34.0 131 184 A K H <> S+ 0 0 73 -3,-3.0 4,-2.2 2,-0.1 -1,-0.3 0.467 89.0 89.9-111.3 -1.2 58.7 43.2 34.1 132 185 A Q H S+ 0 0 166 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 113.5 49.6 -68.8 -35.5 53.6 41.2 34.5 135 188 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 111.6 48.2 -71.6 -36.5 55.5 38.5 36.3 136 189 A L H X S+ 0 0 13 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.898 110.0 51.7 -69.8 -44.8 53.5 39.0 39.5 137 190 A A H X S+ 0 0 60 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.870 110.7 49.6 -55.9 -42.5 50.1 38.9 37.5 138 191 A K H X S+ 0 0 101 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.883 110.5 48.9 -61.5 -48.2 51.2 35.6 35.8 139 192 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 113.1 48.3 -55.6 -46.3 52.1 34.0 39.2 140 193 A M H X S+ 0 0 42 -4,-2.5 4,-0.7 1,-0.2 5,-0.2 0.935 112.8 48.8 -62.4 -46.8 48.8 35.2 40.6 141 194 A Y H >X S+ 0 0 138 -4,-2.6 4,-2.3 1,-0.2 3,-0.9 0.911 110.4 50.0 -54.7 -52.0 47.1 33.7 37.5 142 195 A A H 3< S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.0 48.9 -55.8 -42.0 48.9 30.4 37.8 143 196 A L H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.526 120.5 33.1 -77.0 -12.8 48.0 30.0 41.5 144 197 A N H << S+ 0 0 43 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.2 0.751 117.8 45.4-111.5 -49.1 44.3 30.8 41.1 145 198 A H < 0 0 122 -4,-2.3 -2,-0.1 -5,-0.2 -1,-0.1 -0.277 360.0 360.0 -89.8 49.8 43.1 29.5 37.7 146 199 A F 0 0 230 -3,-0.1 -4,-0.1 -2,-0.0 -1,-0.1 0.226 360.0 360.0 16.5 360.0 45.2 26.5 38.9