# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 A C C 60.81 9.60 14.35 24.40 117.84 -167.91 -92.66 143.09 99.93 0.07 0.01 99.84 0.08 0.04 0.00 0.00 0.00 0.03 0.01 1 G C C 44.01 6.90 12.61 20.55 122.82 -140.27 -110.83 165.29 97.28 1.90 0.81 93.28 1.65 2.56 0.37 0.26 0.00 0.91 0.98 2 R C C 148.45 4.80 11.70 18.23 117.04 -104.75 -92.31 140.34 95.42 2.60 1.98 72.82 19.99 2.70 1.06 0.84 0.00 1.28 1.30 3 P C C 86.47 5.42 11.92 18.95 113.14 -105.29 -69.64 148.45 91.61 2.28 6.10 78.06 8.61 5.31 2.97 2.74 0.00 1.34 0.97 4 A C C 73.37 5.09 11.96 18.67 109.84 -105.82 -73.47 139.03 86.22 4.27 9.51 72.79 8.18 5.41 5.23 4.03 0.00 2.52 1.84 5 V C C 85.84 7.91 10.02 19.00 112.20 -145.44 -92.81 124.75 80.30 6.80 12.90 64.25 9.58 5.98 8.38 4.84 0.00 4.13 2.85 6 S C C 70.07 4.45 12.10 17.94 112.03 -158.84 -93.63 128.34 77.53 5.39 17.07 56.40 11.81 8.81 11.73 5.91 0.01 3.19 2.14 7 A C C 75.47 4.06 11.52 17.11 103.03 -140.18 -77.77 -11.67 71.59 3.24 25.17 31.19 19.15 22.29 16.61 7.69 0.05 1.64 1.37 8 S C C 68.04 4.08 12.76 17.90 103.40 55.13 -81.82 -12.33 72.22 1.90 25.88 35.70 16.44 20.77 18.46 6.76 0.02 0.83 1.02 9 S C H 54.68 7.02 11.14 19.47 99.86 70.39 -72.51 -27.43 51.07 0.92 48.01 28.00 14.34 10.21 42.18 4.43 0.02 0.35 0.47 10 K H H 141.43 2.10 14.13 16.85 94.65 75.36 -66.23 -36.78 20.71 0.47 78.81 7.82 4.63 9.84 72.21 4.99 0.06 0.24 0.21 11 W H H 145.85 3.14 14.87 18.69 93.05 52.88 -66.42 -40.63 11.77 0.47 87.76 4.77 2.04 5.82 81.61 5.26 0.05 0.30 0.15 12 L H H 56.42 9.80 13.59 24.54 92.92 50.74 -66.08 -40.51 6.44 0.22 93.35 3.14 1.05 2.80 89.33 3.47 0.02 0.15 0.05 13 E H H 89.38 6.30 15.99 23.44 92.39 52.28 -64.63 -40.89 4.32 0.07 95.60 1.53 0.61 2.32 93.92 1.55 0.01 0.04 0.02 14 G H H 33.40 3.04 17.67 21.03 92.18 50.77 -63.80 -41.50 5.79 0.06 94.15 1.32 0.65 3.83 92.91 1.22 0.02 0.03 0.02 15 I H H 72.12 5.92 17.41 24.25 92.53 49.75 -65.92 -41.60 3.90 0.03 96.07 0.91 0.43 2.43 95.42 0.77 0.01 0.01 0.01 16 R H H 83.62 11.95 16.08 28.24 92.04 52.42 -63.56 -41.31 1.16 0.01 98.83 0.29 0.11 0.60 98.76 0.23 0.00 0.00 0.00 17 K H H 107.39 5.62 18.18 24.71 92.04 51.61 -63.80 -40.82 0.53 0.00 99.47 0.09 0.04 0.32 99.41 0.15 0.00 0.00 0.00 18 W H H 139.48 2.80 19.66 22.00 92.33 49.98 -64.76 -42.13 0.32 0.00 99.68 0.05 0.02 0.20 99.59 0.14 0.00 0.00 0.00 19 Y H H 78.65 9.45 17.48 27.80 92.44 48.89 -64.99 -42.27 0.40 0.00 99.60 0.05 0.03 0.28 99.47 0.17 0.00 0.00 0.00 20 Y H H 57.72 13.81 15.22 29.44 92.59 49.17 -64.28 -41.65 0.91 0.00 99.08 0.09 0.06 0.70 98.82 0.32 0.00 0.00 0.00 21 N H H 89.21 5.22 17.80 23.94 92.47 49.66 -65.74 -39.05 3.08 0.01 96.91 0.20 0.18 2.64 96.42 0.55 0.01 0.00 0.00 22 A H H 65.30 4.42 18.05 23.04 92.00 52.37 -68.54 -29.94 11.17 0.02 88.81 0.36 0.57 10.39 87.85 0.79 0.02 0.01 0.01 23 A C T 35.60 11.64 14.79 27.30 94.90 54.60 -82.77 -7.21 68.64 0.20 31.16 1.45 5.17 60.20 31.36 1.53 0.04 0.06 0.19 24 G C T 29.93 6.82 19.34 27.39 97.41 -114.58 79.08 9.03 89.78 0.25 9.97 8.71 7.36 73.50 7.75 2.36 0.00 0.10 0.20 25 F H H 30.91 19.00 13.61 32.59 94.26 126.32 -67.24 -36.21 33.05 0.42 66.54 7.85 5.04 19.01 38.27 29.28 0.08 0.19 0.27 26 N H G 71.48 12.49 16.26 28.64 92.39 60.35 -65.93 -30.48 20.80 0.40 78.81 2.62 2.25 14.07 36.36 44.20 0.10 0.22 0.17 27 K H G 146.02 2.35 20.06 22.59 91.83 56.19 -69.62 -23.70 21.86 0.33 77.81 1.88 2.33 15.46 36.89 42.91 0.17 0.18 0.18 28 L H G 60.22 12.29 16.20 28.87 94.68 54.13 -88.07 -3.87 41.82 0.55 57.62 2.56 6.51 30.47 28.97 30.51 0.25 0.27 0.47 29 G C T 29.34 8.18 20.88 30.09 102.87 -108.87 84.46 16.11 97.65 0.50 1.85 24.77 8.37 64.85 0.85 0.68 0.00 0.27 0.20 30 L C C 25.54 20.91 13.33 33.98 112.40 148.13 -85.55 128.34 92.67 3.06 4.27 86.15 4.00 2.49 2.56 1.43 0.00 1.42 1.94 31 M C C 67.75 10.27 19.82 30.31 123.21 -164.44 -106.02 152.89 80.30 5.20 14.50 67.32 7.37 4.88 9.05 5.14 0.00 1.92 4.32 32 R H G 120.67 11.57 16.36 27.81 94.35 -115.66 -62.36 -32.57 28.38 1.17 70.46 7.30 5.27 15.99 24.52 45.75 0.05 0.69 0.42 33 D H G 94.74 5.58 18.96 25.10 93.32 62.64 -73.17 -14.13 27.13 0.52 72.35 4.71 4.07 17.29 24.07 49.32 0.02 0.30 0.22 34 D H G 47.02 14.57 15.15 29.72 97.76 63.16 -90.30 0.12 29.69 0.79 69.52 10.30 5.89 13.73 22.00 47.30 0.02 0.43 0.34 35 T C C 39.41 15.95 14.41 30.09 119.26 83.09 -103.20 135.63 64.06 5.11 30.83 35.64 16.64 12.44 14.97 14.71 0.10 1.98 3.52 36 I C C 80.43 10.91 16.03 27.25 111.40 -138.84 -93.93 124.70 86.21 3.58 10.21 54.58 20.76 10.82 5.15 4.76 0.01 1.60 2.33 37 H C C 108.37 6.81 16.60 24.37 113.80 -133.63 -99.26 122.33 95.94 1.10 2.95 83.17 6.75 6.20 1.34 1.33 0.00 0.57 0.64 38 E C C 95.17 12.04 11.71 24.03 115.10 -156.01 -100.25 124.55 98.42 0.61 0.97 88.20 8.66 1.56 0.55 0.31 0.00 0.24 0.47 39 N C C 64.40 5.39 14.02 21.02 130.44 166.56 -124.89 171.23 98.81 0.23 0.95 86.54 11.48 0.73 0.84 0.13 0.00 0.06 0.22 40 D H H 121.04 1.20 14.99 15.95 92.00 -94.76 -60.99 -34.94 5.94 0.01 94.05 0.96 1.19 3.49 93.79 0.54 0.00 0.00 0.01 41 D H H 83.12 4.59 15.93 21.52 92.43 51.75 -66.49 -39.39 3.38 0.01 96.61 0.44 0.35 2.37 96.33 0.50 0.00 0.00 0.00 42 V H H 15.36 18.79 11.93 30.65 92.67 48.35 -66.76 -41.87 0.89 0.00 99.10 0.21 0.09 0.48 98.86 0.35 0.00 0.00 0.00 43 K H H 93.27 7.42 17.52 25.93 91.42 52.46 -62.26 -41.74 0.30 0.00 99.70 0.07 0.03 0.15 99.59 0.16 0.00 0.00 0.00 44 E H H 95.28 2.22 20.67 21.71 91.73 50.36 -64.10 -41.75 0.34 0.00 99.65 0.04 0.02 0.22 99.48 0.23 0.00 0.00 0.00 45 A H H 17.67 12.67 16.32 30.51 92.11 50.70 -64.61 -41.46 0.71 0.00 99.29 0.05 0.03 0.54 98.87 0.50 0.00 0.00 0.00 46 I H H 32.75 17.44 14.47 31.71 92.07 51.09 -65.62 -35.89 2.35 0.00 97.64 0.09 0.10 2.13 94.78 2.90 0.00 0.00 0.00 47 R H H 162.46 2.41 18.81 21.73 91.09 58.08 -67.37 -25.17 26.99 0.01 73.00 0.30 0.46 27.95 68.14 3.13 0.01 0.00 0.01 48 R C T 149.39 3.41 17.16 21.04 94.04 56.46 -85.09 -10.04 62.20 0.03 37.77 0.80 1.72 60.34 34.10 2.98 0.00 0.01 0.03 49 L C S 27.60 19.12 7.21 24.88 121.52 96.90 -82.62 148.17 99.75 0.11 0.14 5.88 93.67 0.25 0.08 0.01 0.00 0.02 0.08 50 P C C 69.66 3.19 16.56 20.28 114.46 -102.26 -63.13 147.86 99.82 0.07 0.12 99.56 0.24 0.07 0.07 0.01 0.00 0.02 0.04 51 E H H 141.76 2.79 12.78 17.31 91.69 -109.97 -57.39 -38.02 5.77 0.01 94.22 0.43 0.52 4.65 89.43 4.96 0.01 0.00 0.00 52 N H H 111.04 1.88 16.28 18.24 91.79 54.56 -65.09 -37.55 5.53 0.01 94.47 0.24 0.29 4.93 88.74 5.78 0.01 0.00 0.00 53 L H H 41.62 12.35 14.33 27.55 92.81 48.20 -67.70 -39.75 2.80 0.01 97.19 0.28 0.18 2.13 91.73 5.67 0.00 0.00 0.00 54 Y H H 69.12 11.85 15.60 28.27 91.71 52.50 -62.57 -43.18 0.54 0.00 99.46 0.10 0.05 0.29 99.24 0.33 0.00 0.00 0.00 55 N H H 85.84 3.11 21.47 24.11 91.65 49.84 -64.55 -41.22 0.36 0.00 99.64 0.04 0.02 0.23 99.60 0.12 0.00 0.00 0.00 56 D H H 49.16 9.06 19.78 29.83 91.54 50.39 -64.96 -41.25 0.19 0.00 99.81 0.02 0.01 0.12 99.78 0.08 0.00 0.00 0.00 57 R H H 44.48 16.77 18.41 34.88 91.63 51.02 -64.20 -41.53 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 58 V H H 57.84 8.27 22.32 30.99 91.69 50.61 -64.15 -41.82 0.19 0.00 99.81 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 59 F H H 80.17 6.41 22.99 29.93 91.56 50.53 -63.86 -42.78 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 60 R H H 45.20 16.59 20.48 36.58 91.84 50.54 -64.09 -42.49 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 61 I H H 40.50 15.15 21.16 36.01 91.71 49.94 -64.36 -42.22 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 62 K H H 105.44 4.78 24.90 29.70 91.61 50.06 -64.06 -41.69 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 63 R H H 69.75 11.30 22.45 33.91 91.83 49.64 -64.75 -42.02 0.33 0.00 99.67 0.02 0.01 0.23 99.67 0.06 0.00 0.00 0.00 64 A H H 9.75 19.40 17.93 37.57 91.62 51.11 -63.50 -42.18 0.77 0.00 99.23 0.07 0.04 0.52 99.17 0.20 0.00 0.00 0.00 65 L H H 68.33 7.38 22.32 30.14 91.50 50.43 -64.34 -41.08 2.66 0.00 97.33 0.22 0.15 2.04 97.03 0.55 0.00 0.00 0.00 66 D H H 66.60 4.19 21.83 26.08 91.74 50.56 -65.51 -39.58 6.44 0.02 93.53 0.93 0.53 4.64 92.78 1.10 0.01 0.01 0.01 67 L H H 20.46 14.48 14.51 30.33 92.17 52.81 -64.72 -40.46 7.98 0.11 91.91 2.74 1.19 4.35 88.10 3.50 0.02 0.05 0.05 68 S H H 43.65 11.13 14.96 26.73 92.32 52.74 -65.24 -39.36 11.11 0.09 88.80 2.12 1.11 7.61 84.25 4.79 0.03 0.05 0.04 69 M H H 126.11 2.63 16.08 19.18 92.22 51.16 -68.77 -31.57 20.47 0.11 79.42 1.93 2.05 16.44 75.35 4.04 0.07 0.05 0.07 70 R C T 141.48 2.78 15.05 18.31 95.71 44.80 -90.49 -1.52 57.04 0.24 42.72 4.22 7.15 44.69 40.57 3.04 0.04 0.09 0.19 71 Q C T 123.01 5.87 12.99 20.84 94.81 -122.39 58.74 37.70 92.93 0.29 6.78 21.03 10.06 62.09 5.11 1.42 0.00 0.12 0.17 72 Q C C 93.89 5.63 15.98 23.21 121.73 141.90 -109.82 142.22 96.82 1.54 1.64 83.15 10.61 3.08 0.67 0.82 0.00 0.75 0.92 73 I C C 89.92 9.98 16.63 27.34 114.56 -131.47 -92.00 131.62 95.43 4.05 0.52 89.02 5.35 0.68 0.26 0.22 0.00 1.40 3.07 74 L C C 21.70 20.36 10.22 30.10 115.23 -124.61 -80.76 136.60 99.14 0.84 0.02 92.59 6.66 0.05 0.01 0.01 0.00 0.35 0.34 75 P C C 61.99 4.16 18.61 23.31 114.01 -105.69 -64.89 148.19 99.70 0.25 0.05 99.39 0.37 0.05 0.01 0.01 0.00 0.08 0.09 76 K H G 130.71 7.47 11.85 20.97 91.09 -114.60 -57.67 -35.83 9.07 0.04 90.89 0.84 0.88 6.61 3.87 87.77 0.00 0.03 0.01 77 E H G 150.15 1.30 15.81 16.81 90.59 61.39 -68.89 -18.96 8.86 0.04 91.10 0.45 0.63 7.24 3.88 87.76 0.00 0.02 0.00 78 Q H G 70.64 10.53 13.20 24.80 96.04 54.33 -93.26 -5.55 9.25 0.10 90.65 1.23 1.18 6.16 4.20 87.15 0.00 0.07 0.01 79 W C C 61.55 17.05 11.57 28.18 115.36 95.45 -85.17 135.29 84.97 4.12 10.91 64.03 17.16 3.01 7.46 3.26 0.00 1.21 3.87 80 T C C 43.90 11.10 15.32 27.55 118.92 -153.73 -100.79 145.45 89.35 4.62 6.04 78.04 7.81 3.16 4.42 1.77 0.00 2.27 2.54 81 K C C 115.03 5.57 18.63 24.78 105.65 -122.22 -79.80 122.94 79.84 5.56 14.60 57.90 15.23 6.34 10.17 4.72 0.01 3.02 2.61 82 Y C C 89.08 13.05 13.45 26.47 96.62 -112.78 -67.35 -32.64 58.27 2.44 39.29 33.31 11.31 13.48 19.47 20.02 0.02 1.28 1.11 83 E C C 98.65 6.78 14.62 22.51 95.46 63.05 -72.04 -28.12 50.84 1.52 47.64 26.25 9.80 14.38 22.19 25.86 0.02 0.76 0.73 84 E H G 101.16 5.72 14.87 21.77 95.90 58.78 -73.46 -26.86 49.00 1.25 49.75 21.99 10.12 16.34 23.57 26.71 0.02 0.59 0.65 85 D C C 57.73 11.25 12.67 24.62 99.46 57.43 -86.44 3.76 61.02 0.88 38.09 36.13 10.27 14.27 20.33 18.01 0.00 0.39 0.59 86 K C C 96.16 9.80 14.23 24.66 98.97 92.50 -74.48 -12.49 52.52 0.75 46.73 32.10 8.85 10.79 24.00 23.47 0.00 0.34 0.44 87 F H G 122.11 4.75 17.16 22.60 94.55 68.57 -68.25 -27.19 28.85 0.46 70.69 10.66 4.08 13.07 20.77 50.98 0.01 0.25 0.19 88 Y H G 82.75 10.70 16.77 28.14 95.25 67.52 -71.52 -31.68 30.05 0.33 69.62 4.87 3.75 19.52 19.00 52.51 0.02 0.18 0.16 89 L H G 20.40 19.96 13.51 33.17 95.74 52.36 -85.65 -14.11 27.79 0.21 72.00 5.22 3.23 17.29 29.60 44.43 0.02 0.11 0.11 90 E H H 81.94 8.87 17.17 27.20 92.31 83.25 -59.41 -43.60 4.23 0.01 95.76 1.31 0.69 1.93 94.56 1.50 0.00 0.00 0.00 91 P H H 66.56 3.40 20.45 23.78 91.43 49.99 -64.08 -38.99 2.64 0.01 97.36 0.44 0.21 1.79 96.05 1.51 0.00 0.00 0.00 92 Y H H 49.83 13.82 17.89 32.21 92.05 50.40 -65.69 -41.24 0.90 0.00 99.10 0.14 0.06 0.59 98.01 1.19 0.00 0.00 0.00 93 L H H 30.56 16.31 17.06 33.57 92.09 51.27 -64.04 -41.71 0.26 0.00 99.74 0.06 0.02 0.13 99.64 0.15 0.00 0.00 0.00 94 K H H 115.27 3.07 21.95 24.83 91.51 50.39 -64.05 -41.03 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 95 E H H 79.30 5.21 20.72 26.47 91.70 50.30 -64.66 -41.60 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 96 V H H 18.17 15.50 17.08 33.65 92.24 49.69 -64.24 -43.17 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 97 I H H 53.63 8.28 19.03 28.56 91.60 49.72 -63.36 -42.28 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 98 R H H 122.60 2.39 20.94 22.42 91.72 49.77 -64.03 -42.01 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 99 E H H 67.27 7.21 17.62 26.13 92.07 50.02 -64.97 -41.01 0.19 0.00 99.81 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 100 R H H 88.40 8.65 16.62 26.17 91.93 50.47 -64.56 -40.78 0.27 0.00 99.72 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 101 K H H 111.96 2.46 18.37 20.58 91.82 50.35 -64.17 -40.69 0.37 0.00 99.63 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 102 E H H 93.54 2.82 16.64 19.81 91.95 50.06 -64.89 -41.12 0.62 0.00 99.38 0.08 0.03 0.37 99.41 0.10 0.00 0.00 0.00 103 R H H 103.62 5.32 14.81 21.24 92.08 50.11 -65.48 -40.80 0.84 0.00 99.16 0.12 0.05 0.51 99.12 0.20 0.00 0.00 0.00 104 E H H 94.51 2.86 14.55 18.16 91.88 50.71 -64.09 -40.77 1.57 0.00 98.42 0.20 0.10 1.03 98.19 0.46 0.00 0.00 0.00 105 E H H 106.67 1.68 13.99 15.56 92.02 50.75 -64.93 -40.25 5.03 0.01 94.96 0.55 0.33 3.68 94.04 1.39 0.00 0.00 0.00 106 W H H 134.87 3.25 11.18 15.89 93.01 50.33 -67.83 -37.03 10.90 0.03 89.07 1.45 0.92 7.94 86.83 2.82 0.01 0.01 0.02 107 T H H 91.02 2.77 10.01 14.04 93.48 52.82 -72.41 -25.78 28.82 0.13 71.05 4.59 3.05 20.93 69.03 2.26 0.02 0.04 0.09 108 K C H 153.75 1.29 9.89 11.77 96.54 58.31 -79.17 -10.32 62.89 0.23 36.88 27.80 1.96 31.34 36.85 1.82 0.00 0.07 0.16 109 K C C 147.73 2.48 10.79 14.86 103.59 100.99 -77.02 55.63 99.94 0.02 0.05 99.74 0.10 0.11 0.03 0.00 0.00 0.01 0.00