# 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 S C C 75.38 3.93 13.05 18.28 114.88 -140.36 -89.30 143.71 99.93 0.05 0.02 99.32 0.52 0.11 0.01 0.00 0.00 0.02 0.01 1 K C C 156.24 2.23 12.02 15.47 102.88 -100.14 -85.74 20.50 97.42 1.69 0.89 90.89 2.93 3.83 0.17 0.57 0.00 1.05 0.55 2 M C C 80.93 11.39 8.31 19.92 116.01 117.70 -93.34 130.89 90.81 8.20 0.99 78.21 9.59 2.64 0.22 0.86 0.00 6.18 2.31 3 E C C 135.85 2.42 17.68 20.83 117.57 -150.17 -99.14 134.83 83.08 16.35 0.57 78.30 4.34 0.64 0.17 0.39 0.00 9.25 6.90 4 L C C 64.69 16.08 11.84 27.39 116.52 -126.44 -87.76 133.89 96.55 3.37 0.08 92.53 4.26 0.14 0.03 0.04 0.00 2.26 0.74 5 P C C 32.51 14.41 12.57 27.89 115.70 -107.66 -65.92 151.38 99.30 0.61 0.09 94.96 4.16 0.30 0.03 0.04 0.00 0.29 0.23 6 D C C 83.38 3.81 18.77 22.98 107.84 -112.38 -82.41 117.02 99.25 0.54 0.21 97.96 1.13 0.21 0.06 0.07 0.00 0.15 0.41 7 Y H G 87.58 15.05 9.30 24.20 92.57 -156.02 -66.22 -21.33 39.02 0.41 60.57 6.16 4.22 26.30 2.97 59.97 0.00 0.25 0.13 8 K H G 157.68 1.53 14.65 16.63 91.11 67.35 -69.01 -20.09 38.14 0.39 61.47 2.69 4.04 29.19 2.96 60.73 0.00 0.22 0.15 9 Q H G 112.93 3.36 14.14 18.47 95.52 56.58 -82.46 -20.14 34.55 1.27 64.18 5.72 6.84 21.61 2.75 61.96 0.01 0.81 0.31 10 W C C 72.59 15.16 9.52 24.21 121.25 58.76 -115.89 132.78 80.45 8.26 11.29 58.95 16.61 4.79 3.18 8.29 0.01 4.96 3.20 11 K C C 136.67 3.22 17.87 22.29 118.04 -164.96 -112.26 130.54 85.06 13.21 1.74 80.57 3.36 1.23 0.67 0.92 0.00 9.40 3.84 12 I C C 47.49 16.86 9.04 25.10 113.32 -159.59 -103.98 116.20 78.63 19.63 1.75 74.73 2.33 1.14 0.81 0.86 0.00 13.84 6.28 13 E C T 140.46 2.11 14.21 17.57 117.07 -165.72 -89.84 138.32 88.59 9.93 1.48 33.39 9.95 46.33 0.44 0.90 0.00 7.38 1.60 14 G C T 64.95 0.71 15.77 14.93 95.78 13.24 76.32 8.22 97.95 1.30 0.75 14.27 26.07 57.73 0.11 0.65 0.00 0.86 0.31 15 T C C 30.76 16.16 7.41 22.71 119.83 132.86 -95.81 141.32 97.18 1.44 1.38 68.95 26.41 1.65 0.70 0.61 0.00 0.51 1.18 16 P C T 85.12 4.23 17.76 22.69 93.66 -121.09 -64.13 -20.20 90.78 0.76 8.47 13.75 13.76 63.64 5.20 2.84 0.01 0.36 0.44 17 L C T 37.39 15.89 11.66 27.61 98.53 53.78 -96.41 20.54 89.16 0.48 10.36 27.51 6.72 55.38 7.33 2.55 0.00 0.22 0.29 18 E H H 91.18 7.48 14.80 23.99 93.04 122.82 -60.02 -40.65 9.77 0.10 90.13 6.60 1.47 2.03 88.77 1.04 0.00 0.04 0.04 19 T H H 88.33 1.70 20.05 20.37 91.77 51.81 -64.34 -39.86 3.38 0.06 96.55 1.74 0.43 1.22 95.81 0.75 0.00 0.03 0.01 20 V H H 27.38 12.42 16.57 30.26 92.04 48.87 -65.54 -41.69 1.78 0.06 98.16 0.89 0.23 0.72 97.33 0.79 0.00 0.04 0.01 21 Q H H 36.36 15.82 14.79 30.83 91.73 52.60 -62.62 -42.23 1.08 0.02 98.90 0.51 0.14 0.42 98.57 0.35 0.00 0.01 0.00 22 E H H 111.37 2.16 21.73 22.71 91.51 50.17 -63.89 -41.11 1.39 0.03 98.59 0.50 0.16 0.69 98.35 0.28 0.00 0.01 0.00 23 K H H 99.13 3.49 19.74 23.25 91.63 49.89 -65.09 -40.91 1.75 0.03 98.22 0.48 0.21 1.03 97.89 0.37 0.00 0.01 0.01 24 L H H 14.44 15.65 12.01 28.86 91.52 50.30 -64.34 -41.34 2.40 0.04 97.56 0.68 0.31 1.37 96.74 0.86 0.01 0.02 0.01 25 A H H 53.15 7.39 14.00 22.73 91.84 52.17 -63.63 -39.46 4.16 0.04 95.81 0.75 0.33 2.91 92.73 3.24 0.01 0.02 0.01 26 A H H 91.51 0.88 15.31 15.13 90.60 54.39 -66.17 -27.88 13.71 0.07 86.22 0.73 0.76 12.63 83.23 2.52 0.05 0.03 0.04 27 R C T 140.67 3.62 12.77 17.75 93.72 50.61 -90.77 2.22 77.32 0.08 22.60 0.64 2.10 74.31 20.92 1.89 0.01 0.03 0.09 28 G C T 59.01 1.32 16.21 16.90 96.25 -107.12 81.39 12.09 99.49 0.03 0.48 2.25 2.32 95.07 0.20 0.13 0.00 0.02 0.01 29 L C C 50.27 14.27 9.43 23.73 113.14 137.04 -93.93 123.50 98.63 0.57 0.80 94.16 3.09 1.46 0.25 0.41 0.00 0.23 0.40 30 R C C 155.34 4.23 18.09 23.23 103.70 -176.29 -100.20 3.66 98.28 1.05 0.67 80.84 15.12 2.06 0.23 0.42 0.00 0.38 0.95 31 D C C 36.69 14.00 13.51 28.27 109.28 129.83 -96.22 108.06 99.15 0.65 0.20 81.17 17.39 0.43 0.10 0.07 0.00 0.17 0.65 32 P H T 70.16 7.25 18.18 27.10 92.24 -161.52 -63.25 -28.50 48.99 0.33 50.68 4.99 5.84 35.88 22.41 30.34 0.05 0.15 0.33 33 W H G 102.24 10.25 18.87 29.51 92.22 57.71 -67.06 -36.65 40.73 0.27 59.00 1.78 3.31 33.28 24.10 37.08 0.09 0.13 0.25 34 G H G 10.08 17.52 16.20 33.71 93.24 49.58 -68.39 -36.02 29.02 0.45 70.53 3.35 3.57 19.86 29.45 43.19 0.09 0.23 0.26 35 R H G 89.47 12.38 19.24 31.46 92.92 53.27 -71.23 -30.77 31.25 0.88 67.87 6.85 5.06 17.69 31.61 37.75 0.09 0.44 0.51 36 N C T 64.57 9.68 20.45 30.61 96.61 52.32 -87.88 -15.10 54.31 1.83 43.86 13.21 9.57 29.98 17.37 27.64 0.13 0.86 1.24 37 E C C 48.72 13.32 18.47 32.24 100.74 69.55 -88.95 34.48 67.41 6.84 25.75 44.34 10.33 11.88 13.10 12.21 0.02 2.25 5.87 38 A H G 26.52 14.42 16.78 31.90 92.91 123.38 -60.62 -39.03 13.36 0.29 86.36 2.61 1.74 8.43 27.89 59.06 0.01 0.19 0.07 39 W H G 103.71 9.47 18.29 28.58 91.60 54.84 -66.33 -29.70 10.80 0.17 89.03 1.27 1.11 7.86 28.16 61.45 0.01 0.11 0.04 40 R H G 100.93 9.15 17.35 27.20 93.04 55.68 -72.65 -26.09 11.60 0.35 88.05 2.44 1.68 7.12 28.50 59.92 0.01 0.24 0.08 41 Y H H 84.34 12.38 13.65 26.40 96.88 59.62 -80.31 -18.02 45.31 4.54 50.15 18.10 13.37 15.77 24.94 22.93 0.36 2.07 2.45 42 S C C 61.58 6.90 13.88 21.91 100.48 59.82 -89.54 7.01 75.80 3.93 20.27 25.90 25.46 25.51 12.04 7.02 0.09 1.59 2.40 43 G C T 52.35 3.26 14.05 18.47 102.09 -100.34 76.46 3.88 87.03 1.09 11.88 21.35 24.55 41.70 3.57 7.61 0.00 0.50 0.72 44 G C T 45.45 5.05 13.12 19.43 107.27 -42.93 76.02 -37.38 85.27 1.61 13.12 27.60 24.04 34.31 3.32 9.04 0.01 0.72 0.97 45 F C C 118.23 7.42 11.17 19.58 101.48 61.86 -85.92 -2.14 80.78 3.31 15.91 39.79 20.04 21.78 5.09 9.83 0.02 1.49 1.96 46 A C C 62.35 6.75 11.41 19.55 106.56 80.97 -83.57 17.49 83.54 2.09 14.37 46.70 20.35 16.90 6.76 7.06 0.00 0.94 1.28 47 N C C 108.73 3.57 12.70 17.67 106.94 47.83 -91.49 72.84 81.55 1.53 16.92 40.47 25.04 16.61 10.74 5.52 0.01 0.59 1.01 48 N C C 111.28 3.99 12.41 17.78 102.75 -135.65 -83.81 30.20 69.13 1.60 29.26 40.05 17.35 11.92 24.51 4.63 0.01 0.65 0.88 49 V C H 78.37 6.61 11.27 19.39 110.26 120.02 -93.79 107.93 54.59 2.04 43.37 39.45 7.88 7.45 40.11 3.32 0.01 0.96 0.83 50 S H H 58.51 5.63 12.46 19.60 105.09 79.87 -76.42 -37.69 31.71 1.76 66.53 21.83 5.42 6.63 60.93 3.64 0.03 0.94 0.59 51 F H H 131.98 3.46 13.78 18.20 94.40 49.69 -66.54 -37.84 11.92 0.68 87.40 4.92 2.50 5.97 80.93 4.92 0.11 0.45 0.21 52 V H H 80.82 3.82 14.66 19.49 93.10 51.55 -66.49 -40.11 8.99 0.40 90.60 2.56 1.55 5.52 83.39 6.45 0.12 0.28 0.12 53 G H H 26.19 7.93 13.08 22.68 93.35 50.73 -66.51 -38.20 11.99 0.29 87.72 2.19 1.76 8.37 79.89 7.32 0.17 0.18 0.12 54 A H H 53.51 6.59 13.80 21.73 93.47 50.48 -68.68 -35.84 22.84 0.34 76.82 2.08 2.79 18.16 69.42 6.79 0.38 0.17 0.21 55 L H H 104.14 3.37 15.64 19.49 95.02 46.72 -74.50 -31.55 40.35 0.89 58.76 3.70 6.09 30.90 52.53 5.08 0.70 0.39 0.61 56 L C H 87.30 5.93 14.49 21.46 99.77 50.71 -87.87 -12.76 56.11 3.39 40.49 19.90 16.90 21.57 32.61 5.20 0.44 1.34 2.05 57 K C T 107.26 6.91 15.21 23.32 108.35 94.09 -68.71 129.66 65.69 1.22 33.09 7.29 6.80 49.66 29.92 4.82 0.17 0.59 0.74 58 G C T 31.71 9.49 16.12 26.16 97.60 21.19 73.09 -5.84 58.72 0.47 40.81 6.52 5.89 44.90 37.62 4.47 0.09 0.21 0.32 59 F H H 87.42 10.44 14.97 26.15 94.27 90.91 -64.58 -39.56 16.73 0.23 83.05 8.52 3.08 6.41 79.09 2.67 0.02 0.09 0.13 60 K H H 125.89 3.28 19.47 23.01 92.35 51.44 -65.08 -40.48 6.84 0.09 93.07 2.24 0.96 3.75 91.68 1.27 0.01 0.04 0.04 61 W H H 127.44 5.24 19.91 25.48 92.33 48.84 -66.56 -40.99 2.82 0.03 97.15 0.76 0.33 1.64 96.54 0.70 0.01 0.01 0.01 62 G H H 12.47 14.94 16.29 31.91 91.86 52.14 -63.71 -42.19 0.81 0.00 99.18 0.20 0.07 0.42 99.13 0.17 0.00 0.00 0.00 63 F H H 91.58 7.64 20.77 28.83 91.92 50.68 -63.79 -42.33 0.14 0.00 99.86 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 64 A H H 53.22 3.54 22.42 25.65 91.35 50.47 -63.85 -42.25 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 65 A H H 35.31 9.55 20.00 30.35 91.65 50.48 -64.36 -42.14 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 66 F H H 62.88 13.49 19.79 33.19 92.02 50.43 -63.74 -42.15 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 67 V H H 75.79 4.96 22.77 27.90 91.77 50.05 -63.86 -42.63 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 68 V H H 76.54 4.06 23.00 26.92 91.80 48.54 -64.14 -42.49 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 69 A H H 26.90 11.74 19.21 31.83 91.78 49.88 -64.01 -42.49 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 70 V H H 53.36 8.94 20.30 29.83 91.78 49.25 -63.98 -42.45 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 71 G H H 32.80 3.33 20.45 23.77 91.37 50.38 -63.31 -42.58 0.18 0.00 99.82 0.01 0.00 0.13 99.83 0.02 0.00 0.00 0.00 72 A H H 46.12 4.65 18.50 24.08 91.66 50.36 -64.21 -42.26 0.24 0.00 99.76 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 73 E H H 65.34 8.52 15.99 25.73 91.91 50.37 -64.60 -41.02 0.42 0.00 99.58 0.03 0.02 0.31 99.50 0.14 0.00 0.00 0.00 74 Y H H 117.50 3.67 16.01 20.49 91.98 49.70 -64.87 -41.16 0.98 0.00 99.02 0.09 0.05 0.75 98.83 0.29 0.00 0.00 0.00 75 Y H H 133.03 2.06 14.76 16.94 92.35 49.88 -65.29 -40.56 2.82 0.01 97.17 0.31 0.21 2.10 96.73 0.65 0.00 0.00 0.00 76 L H H 95.07 3.43 12.30 17.03 93.15 49.75 -67.32 -36.90 8.42 0.03 91.55 1.03 0.81 6.25 90.56 1.32 0.01 0.01 0.01 77 E H H 124.52 2.99 10.94 15.25 94.20 51.95 -72.81 -26.13 25.45 0.15 74.40 4.26 3.36 17.64 73.11 1.46 0.03 0.05 0.09 78 S C H 81.10 2.07 9.49 12.76 98.08 61.01 -81.02 -9.66 61.25 0.27 38.48 29.92 2.28 27.01 39.02 1.50 0.00 0.10 0.18 79 Q C C 131.45 2.57 10.50 14.68 103.45 86.60 -80.77 30.16 99.89 0.04 0.07 99.63 0.14 0.15 0.04 0.01 0.00 0.02 0.01