# 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 80.92 2.84 10.42 14.98 115.83 -143.68 -90.90 142.51 99.84 0.13 0.03 99.74 0.11 0.05 0.01 0.00 0.00 0.07 0.02 1 T C C 108.52 2.20 7.85 12.10 116.95 -152.97 -103.79 133.43 87.02 7.01 5.97 82.62 1.52 3.55 3.45 1.76 0.00 5.04 2.06 2 Q C C 133.00 2.09 8.26 12.30 119.04 -161.93 -108.61 137.75 77.05 15.28 7.67 58.91 12.15 5.60 4.64 3.16 0.01 12.86 2.67 3 T C C 100.89 2.63 8.34 13.12 118.79 -147.44 -101.00 136.75 74.22 18.41 7.37 62.39 7.22 3.66 4.62 2.84 0.01 16.44 2.82 4 V C C 97.61 4.46 8.01 14.49 115.68 -149.44 -101.69 129.80 72.51 17.85 9.65 58.87 8.46 4.01 7.35 2.93 0.02 14.80 3.57 5 E C C 139.17 2.33 10.35 14.31 113.98 -151.55 -95.00 131.29 75.82 11.19 12.99 55.74 11.53 7.69 9.57 4.04 0.02 9.04 2.37 6 D C C 94.92 4.05 9.56 15.29 110.06 -145.68 -91.38 108.55 77.19 4.97 17.84 47.46 14.89 15.10 9.92 7.78 0.01 3.27 1.57 7 S C C 76.29 4.19 9.05 15.04 100.70 -173.85 -87.38 0.19 74.86 2.90 22.24 37.97 16.31 21.44 9.90 11.51 0.02 1.53 1.31 8 S C C 81.58 2.59 9.98 14.00 99.24 79.95 -81.98 -1.50 74.45 2.97 22.58 34.02 18.13 23.51 8.61 12.78 0.02 1.46 1.47 9 R C C 160.79 2.79 9.27 13.66 101.93 82.62 -83.49 -1.56 78.34 3.47 18.19 34.56 21.94 23.08 7.35 9.64 0.02 1.64 1.76 10 S C C 88.56 1.74 9.75 12.62 104.63 63.03 -93.21 13.57 87.71 3.08 9.20 41.81 28.31 18.24 3.79 4.83 0.00 1.42 1.59 11 G C S 40.45 3.58 11.12 16.24 129.85 35.55 138.66 177.26 95.53 3.48 0.99 44.55 48.98 2.51 0.37 0.54 0.00 1.72 1.33 12 P C C 100.05 3.00 11.70 16.21 113.18 -43.79 -68.48 146.69 89.92 4.55 5.52 64.50 16.09 9.42 2.31 3.19 0.00 3.01 1.50 13 R C C 154.01 4.53 10.59 16.99 111.61 -125.84 -87.65 131.14 75.62 15.83 8.56 53.68 12.94 8.37 4.87 4.02 0.02 10.89 5.20 14 S C C 72.43 4.78 12.05 18.64 117.84 -144.31 -98.86 138.34 68.03 22.59 9.38 51.70 10.41 4.62 6.78 3.42 0.03 16.85 6.18 15 T C C 55.96 8.77 10.89 21.12 121.05 -164.02 -109.82 151.31 72.57 15.24 12.19 59.81 8.62 2.94 11.43 2.17 0.01 11.78 3.25 16 T H H 86.98 3.24 15.88 19.66 96.15 -126.13 -67.99 -34.39 41.37 8.19 50.44 29.32 8.42 5.22 47.06 2.73 0.06 5.43 1.76 17 V H H 64.36 7.94 14.10 23.08 93.03 55.04 -65.40 -40.63 11.88 0.88 87.23 4.94 2.16 5.90 80.27 5.75 0.09 0.67 0.23 18 G H H 22.96 9.21 13.03 23.90 92.38 52.52 -63.57 -40.20 6.54 0.32 93.14 1.95 0.96 3.88 84.69 8.16 0.05 0.24 0.08 19 K H H 130.03 2.43 16.99 19.66 92.52 51.44 -67.14 -36.91 5.68 0.22 94.10 1.34 0.76 3.60 84.40 9.64 0.04 0.16 0.06 20 L H H 88.02 4.84 15.68 21.33 93.21 49.65 -68.77 -36.41 12.68 0.40 86.93 1.82 1.55 9.56 78.86 7.63 0.19 0.24 0.15 21 L H H 60.91 10.68 13.15 24.67 95.42 50.67 -76.84 -26.39 24.00 0.87 75.13 4.29 4.62 16.78 68.64 4.43 0.37 0.41 0.46 22 K H H 108.55 6.25 14.84 22.53 94.53 70.29 -61.78 -43.09 21.02 0.95 78.03 7.58 3.22 9.56 44.15 34.59 0.04 0.60 0.26 23 P H H 79.46 2.71 16.60 19.23 93.19 49.40 -65.98 -35.27 20.20 1.06 78.74 6.67 2.71 9.52 45.61 34.49 0.04 0.72 0.24 24 L H H 69.03 7.02 13.64 22.11 94.18 52.86 -68.85 -35.00 18.46 1.31 80.23 6.78 3.30 8.15 46.47 34.07 0.08 0.82 0.33 25 N H H 60.35 9.57 11.59 22.36 94.29 55.39 -71.16 -30.45 36.19 2.97 60.84 20.56 7.22 10.31 43.35 15.68 0.08 1.64 1.16 26 S H H 72.38 3.00 13.34 17.35 95.03 61.95 -69.79 -29.97 40.05 2.12 57.84 13.23 7.45 19.03 34.18 23.85 0.17 1.22 0.85 27 E H H 137.32 1.96 12.81 15.31 95.51 56.27 -75.14 -25.32 43.37 3.01 53.62 11.30 7.55 23.46 31.24 23.11 0.29 1.87 1.18 28 Y C T 139.47 4.50 10.42 16.40 100.52 45.20 -92.68 3.07 58.85 2.69 38.46 10.78 11.58 35.36 20.94 18.04 0.25 1.47 1.58 29 G C T 52.49 2.98 12.42 16.74 103.03 -106.63 77.22 11.65 84.65 3.71 11.64 23.15 17.47 44.93 4.72 6.19 0.02 2.34 1.20 30 K C C 135.84 3.50 12.95 17.97 111.87 113.49 -98.86 118.29 74.45 17.41 8.13 46.89 15.70 11.64 3.36 4.94 0.03 12.39 5.05 31 V C C 79.63 8.15 9.87 19.37 114.68 -145.46 -99.20 130.10 70.32 25.65 4.03 49.09 16.42 3.78 2.36 2.03 0.03 14.85 11.44 32 A C C 60.38 5.26 11.60 18.58 118.05 -125.10 -91.40 142.05 86.32 11.82 1.86 66.93 15.42 3.71 0.70 1.22 0.00 9.13 2.89 33 P C T 104.94 2.83 12.57 16.75 109.35 -99.63 -67.99 142.36 88.99 5.06 5.95 32.92 22.15 34.73 1.25 4.41 0.00 3.26 1.28 34 G C T 55.41 2.59 12.26 16.10 108.53 23.48 89.45 -1.47 87.27 5.20 7.53 31.97 22.08 34.06 1.53 5.66 0.01 2.97 1.71 35 W C C 159.95 4.85 10.48 16.77 106.14 55.68 -90.76 37.40 79.22 9.11 11.67 34.96 21.23 24.26 2.91 8.13 0.03 4.67 3.81 36 G C C 42.05 5.28 12.69 19.24 113.24 -101.40 35.50 -33.60 81.27 9.13 9.60 36.22 23.21 23.23 2.68 6.40 0.02 5.06 3.18 37 T C C 80.63 5.59 12.09 19.08 104.58 -60.91 -90.41 21.60 79.53 7.07 13.39 48.78 19.13 11.62 6.72 6.55 0.02 3.38 3.80 38 T H H 72.00 4.99 12.23 18.72 100.81 101.54 -71.57 -39.20 46.09 1.28 52.62 21.62 19.77 5.78 50.07 1.75 0.03 0.42 0.56 39 P H H 95.46 2.01 14.29 16.46 94.14 39.48 -64.75 -36.35 18.96 0.50 80.55 5.79 3.72 10.70 76.78 2.47 0.08 0.27 0.19 40 L H H 96.76 3.01 14.33 18.06 93.27 50.15 -67.38 -39.36 10.50 0.62 88.88 3.95 1.64 5.69 85.75 2.31 0.06 0.43 0.18 41 M H H 75.52 6.69 13.21 21.53 92.66 51.33 -65.54 -40.42 3.56 0.16 96.28 1.80 0.53 1.39 95.21 0.92 0.00 0.10 0.04 42 G H H 33.83 3.84 15.14 20.18 92.09 51.99 -63.53 -41.97 2.87 0.15 96.98 1.41 0.36 1.16 96.50 0.44 0.00 0.10 0.03 43 V H H 86.29 2.03 17.03 18.47 92.41 49.21 -65.35 -41.26 1.07 0.06 98.87 0.46 0.11 0.47 98.71 0.20 0.00 0.04 0.01 44 A H H 47.90 4.53 15.62 21.49 92.19 51.05 -64.18 -41.74 0.51 0.02 99.47 0.21 0.05 0.23 99.41 0.10 0.00 0.01 0.00 45 M H H 89.34 4.89 15.80 21.80 92.22 49.94 -65.14 -40.71 0.36 0.01 99.63 0.11 0.03 0.18 99.63 0.06 0.00 0.00 0.00 46 A H H 59.09 2.61 16.49 19.26 91.73 50.88 -63.87 -41.21 0.18 0.00 99.82 0.04 0.01 0.09 99.83 0.03 0.00 0.00 0.00 47 L H H 94.12 2.31 16.88 18.97 91.95 50.08 -64.62 -41.36 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 48 F H H 102.81 4.33 15.76 21.10 92.07 49.85 -65.24 -40.83 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 49 A H H 54.30 3.68 15.36 20.06 91.87 51.05 -64.05 -40.98 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 50 V H H 87.17 1.96 16.74 18.13 91.97 49.94 -64.48 -41.87 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 51 F H H 109.86 2.94 16.03 19.46 91.90 49.79 -64.61 -41.45 0.30 0.00 99.69 0.03 0.01 0.20 99.70 0.05 0.00 0.00 0.00 52 L H H 82.24 4.16 15.38 20.62 91.86 50.32 -64.69 -40.61 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 53 S H H 57.15 2.93 15.90 19.28 91.84 51.36 -64.46 -40.79 0.33 0.00 99.67 0.04 0.01 0.22 99.67 0.05 0.00 0.00 0.00 54 I H H 90.75 2.46 16.29 18.75 92.08 49.90 -64.63 -41.97 0.28 0.00 99.72 0.03 0.01 0.19 99.70 0.06 0.00 0.00 0.00 55 I H H 82.90 3.72 15.35 20.12 91.92 49.65 -64.43 -42.05 0.29 0.00 99.70 0.04 0.01 0.19 99.66 0.09 0.00 0.00 0.00 56 L H H 83.35 3.48 14.98 19.42 91.79 50.36 -64.32 -41.19 0.45 0.01 99.54 0.06 0.02 0.30 99.38 0.22 0.00 0.01 0.00 57 E H H 107.77 2.36 15.17 17.84 92.12 50.55 -64.84 -40.47 1.31 0.01 98.67 0.13 0.07 1.01 98.24 0.53 0.00 0.01 0.00 58 I H H 95.80 2.54 14.60 17.59 92.66 48.57 -66.26 -40.54 3.75 0.06 96.19 0.39 0.27 2.93 95.57 0.77 0.01 0.04 0.01 59 Y H H 132.24 2.94 13.66 17.45 93.36 48.38 -69.44 -36.74 11.84 0.18 87.98 2.04 1.46 8.37 86.76 1.18 0.04 0.08 0.08 60 N H H 96.18 3.19 12.81 17.13 95.73 50.59 -81.68 -13.71 36.30 0.85 62.85 10.06 5.57 21.76 59.27 2.46 0.08 0.39 0.41 61 S C H 68.81 3.21 12.17 16.52 98.68 64.60 -78.17 -18.30 49.87 1.43 48.70 16.50 10.66 23.92 43.22 4.30 0.10 0.68 0.62 62 S H H 66.85 3.65 11.37 16.46 100.86 69.23 -78.35 -16.97 48.22 3.55 48.24 24.14 10.64 15.37 39.01 7.47 0.13 2.10 1.14 63 V H H 98.61 2.92 10.17 14.56 98.06 79.91 -75.65 -24.65 37.21 8.85 53.95 17.70 8.38 12.76 39.99 12.23 0.47 6.69 1.76 64 L H H 118.47 2.18 10.32 13.70 99.96 61.75 -81.63 -18.94 34.19 15.54 50.27 16.96 7.16 11.76 36.10 12.55 0.55 12.47 2.44 65 L H H 116.57 2.71 8.71 12.98 105.98 62.53 -87.12 53.09 38.36 15.55 46.09 16.51 8.90 14.77 31.62 12.69 1.02 11.28 3.21 66 D C T 113.76 1.86 9.60 12.71 104.80 86.82 -84.06 64.85 64.91 5.46 29.64 14.38 11.19 38.09 21.34 9.27 0.30 3.67 1.76 67 G C T 60.15 1.54 9.83 12.44 102.33 -68.43 78.87 7.34 84.29 5.31 10.39 22.91 16.16 46.35 5.00 4.54 0.02 3.90 1.13 68 I C C 115.30 3.17 7.12 12.34 115.73 131.82 -95.19 130.97 75.94 19.75 4.30 59.59 10.65 4.94 2.39 2.08 0.01 16.00 4.34 69 S C C 87.91 1.73 8.92 12.23 116.37 -154.84 -100.96 133.22 74.24 22.76 2.99 64.44 5.10 3.61 1.48 1.45 0.00 19.66 4.25 70 V C C 112.67 3.06 6.77 11.91 112.29 -161.85 -100.99 118.38 84.82 14.01 1.17 81.45 1.50 1.97 0.54 0.45 0.00 11.50 2.59 71 N C C 128.00 1.51 10.87 13.41 110.21 -153.88 -93.53 112.86 99.75 0.23 0.02 99.62 0.13 0.06 0.01 0.00 0.00 0.16 0.01