# 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 R C C 131.54 6.25 12.63 20.30 113.14 -137.90 -85.69 136.38 99.85 0.04 0.12 99.67 0.14 0.08 0.08 0.00 0.00 0.01 0.01 1 S C C 61.19 3.73 12.36 17.38 115.58 -123.06 -79.52 157.78 69.88 0.52 29.60 64.06 1.06 4.48 28.47 1.44 0.00 0.18 0.30 2 R H H 147.18 4.69 11.14 17.50 94.18 -110.13 -63.06 -35.63 23.50 0.27 76.22 11.01 4.54 8.93 71.50 3.75 0.02 0.12 0.13 3 K H H 123.62 4.18 13.87 19.37 93.14 53.75 -65.66 -38.72 15.75 0.21 84.04 6.48 2.88 6.89 78.95 4.59 0.02 0.10 0.09 4 E H H 102.72 4.02 15.39 20.21 92.84 50.35 -67.00 -38.79 12.85 0.18 86.97 5.48 2.23 5.39 82.33 4.40 0.01 0.09 0.08 5 S H H 47.52 5.34 15.81 22.49 93.47 51.50 -66.81 -40.16 14.81 0.16 85.03 6.47 2.19 6.19 82.47 2.52 0.01 0.07 0.08 6 Y H H 79.27 9.59 16.96 27.48 92.50 50.70 -65.67 -41.06 6.41 0.05 93.54 2.51 0.91 2.74 92.94 0.86 0.00 0.02 0.02 7 S H H 34.13 10.24 17.14 28.56 91.91 52.09 -64.09 -40.77 3.93 0.03 96.04 1.34 0.40 1.98 95.74 0.51 0.00 0.01 0.01 8 V H H 66.08 5.47 19.87 25.85 91.97 50.52 -64.56 -42.16 2.02 0.01 97.97 0.30 0.16 1.52 97.71 0.30 0.00 0.00 0.00 9 Y H H 99.12 6.18 20.68 27.37 91.85 50.17 -64.42 -42.63 0.62 0.00 99.38 0.10 0.05 0.40 99.35 0.10 0.00 0.00 0.00 10 V H H 30.73 14.06 18.27 32.82 91.86 49.59 -64.21 -42.79 0.22 0.00 99.78 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 11 Y H H 72.19 11.98 18.54 30.97 91.89 50.48 -63.99 -41.75 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 12 K H H 104.82 3.64 21.79 24.96 91.75 50.21 -64.48 -41.48 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.03 0.00 0.00 0.00 13 V H H 45.79 7.46 18.93 27.83 91.84 49.12 -64.35 -42.15 0.27 0.00 99.73 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 14 L H H 24.09 14.82 14.39 30.18 91.91 50.27 -64.38 -40.36 0.41 0.00 99.59 0.03 0.02 0.30 99.53 0.12 0.00 0.00 0.00 15 K H H 103.17 7.29 15.65 24.02 92.05 52.61 -65.10 -37.10 1.77 0.00 98.23 0.09 0.07 1.53 97.96 0.34 0.00 0.00 0.00 16 Q H H 126.80 1.63 17.22 18.25 93.53 49.00 -70.40 -37.07 4.65 0.00 95.35 0.14 0.21 4.25 95.08 0.32 0.00 0.00 0.00 17 V H H 78.03 5.85 14.66 21.65 98.96 36.37 -87.12 -34.26 8.55 0.02 91.43 0.36 1.13 6.86 91.42 0.20 0.02 0.00 0.02 18 H C C 66.73 9.30 10.33 21.18 111.98 24.31 -133.06 70.63 99.34 0.20 0.46 65.40 33.10 0.77 0.39 0.08 0.00 0.04 0.22 19 P C T 92.68 4.59 11.21 18.25 94.22 167.20 -63.12 -26.28 85.72 0.18 14.09 11.21 5.82 68.31 2.65 11.79 0.00 0.10 0.12 20 D C T 129.56 0.64 14.59 13.72 95.30 55.30 -84.18 -0.04 82.93 0.16 16.90 5.44 7.60 69.49 3.71 13.54 0.00 0.08 0.12 21 T C C 55.60 9.98 10.87 21.80 100.96 87.21 -89.94 -2.85 82.84 0.68 16.48 32.73 31.33 19.25 5.10 10.68 0.00 0.24 0.67 22 G C C 40.31 4.57 17.11 22.62 107.95 -126.22 80.15 73.14 87.81 1.36 10.83 56.30 19.86 11.58 7.95 2.78 0.00 0.51 1.02 23 I C C 54.65 14.76 12.39 26.88 103.90 122.66 -87.03 28.67 64.76 1.64 33.60 49.58 8.44 5.65 32.65 2.18 0.00 0.61 0.90 24 S H H 52.21 7.00 16.01 24.10 98.89 87.57 -67.50 -46.10 34.74 0.47 64.80 26.17 4.09 4.66 63.08 1.61 0.00 0.18 0.20 25 S H H 79.31 2.35 17.12 19.58 93.80 24.69 -66.10 -37.28 5.59 0.05 94.36 2.05 0.98 2.56 92.98 1.39 0.00 0.02 0.02 26 K H H 131.83 2.18 18.26 20.15 92.36 49.42 -66.27 -40.07 2.99 0.03 96.99 0.93 0.40 1.56 95.99 1.10 0.00 0.01 0.01 27 A H H 21.92 12.78 14.18 28.14 92.48 50.48 -65.49 -41.55 2.03 0.02 97.96 0.64 0.23 1.03 97.36 0.73 0.00 0.01 0.00 28 M H H 71.33 9.75 16.57 27.18 91.97 52.15 -63.60 -41.06 0.93 0.00 99.06 0.27 0.09 0.45 98.94 0.25 0.00 0.00 0.00 29 G H H 37.92 2.56 19.64 21.59 91.77 51.54 -63.50 -41.87 0.92 0.00 99.08 0.19 0.06 0.52 99.05 0.17 0.00 0.00 0.00 30 I H H 82.47 4.39 19.45 24.19 91.86 48.97 -65.10 -42.07 0.69 0.00 99.30 0.13 0.05 0.40 99.28 0.14 0.00 0.00 0.00 31 M H H 50.03 12.96 16.27 29.81 91.92 50.13 -64.45 -41.80 0.62 0.00 99.38 0.14 0.05 0.34 99.35 0.13 0.00 0.00 0.00 32 N H H 75.22 6.78 18.49 26.09 91.72 51.04 -63.82 -40.09 0.90 0.00 99.10 0.17 0.05 0.54 99.08 0.16 0.00 0.00 0.00 33 S H H 62.47 2.24 20.13 21.31 92.01 50.58 -64.98 -41.29 1.22 0.00 98.78 0.15 0.07 0.84 98.73 0.21 0.00 0.00 0.00 34 F H H 86.01 6.84 18.69 26.43 92.19 49.27 -65.22 -42.09 1.26 0.00 98.74 0.18 0.09 0.85 98.66 0.23 0.00 0.00 0.00 35 V H H 39.07 12.44 16.36 29.61 92.08 49.99 -64.53 -42.15 0.91 0.00 99.08 0.18 0.07 0.53 99.09 0.13 0.00 0.00 0.00 36 N H H 80.23 4.22 19.25 23.90 91.93 50.98 -63.95 -40.84 0.98 0.00 99.02 0.22 0.07 0.55 99.04 0.13 0.00 0.00 0.00 37 D H H 77.78 2.60 20.11 22.00 91.98 50.15 -65.23 -40.88 0.98 0.00 99.01 0.17 0.06 0.61 99.02 0.13 0.00 0.00 0.00 38 I H H 51.85 9.90 17.67 28.65 92.00 50.14 -64.72 -42.57 0.53 0.00 99.47 0.08 0.03 0.33 99.46 0.11 0.00 0.00 0.00 39 F H H 70.47 11.62 16.91 29.04 91.83 50.44 -64.02 -41.32 0.33 0.00 99.67 0.05 0.02 0.20 99.63 0.11 0.00 0.00 0.00 40 E H H 115.69 2.58 20.32 22.60 91.79 50.47 -64.58 -41.07 0.46 0.00 99.54 0.06 0.02 0.30 99.47 0.15 0.00 0.00 0.00 41 R H H 127.04 3.36 20.20 23.44 91.96 49.28 -65.37 -41.31 1.11 0.00 98.89 0.10 0.06 0.83 98.77 0.24 0.00 0.00 0.00 42 I H H 41.20 13.08 16.93 30.64 92.28 47.24 -66.30 -41.61 2.44 0.01 97.54 0.33 0.20 1.69 97.46 0.30 0.00 0.01 0.00 43 A H H 41.96 8.50 17.81 27.44 91.77 51.89 -63.32 -40.86 4.21 0.02 95.77 0.78 0.38 2.68 95.55 0.59 0.00 0.01 0.01 44 G H H 37.57 2.51 20.96 22.59 92.00 50.51 -64.02 -42.41 8.61 0.04 91.35 1.46 0.82 5.94 90.71 1.03 0.01 0.02 0.02 45 E H H 85.57 5.94 20.41 26.80 92.25 48.80 -65.79 -40.59 5.51 0.04 94.45 1.45 0.71 3.15 93.20 1.45 0.01 0.02 0.01 46 A H H 22.46 14.16 15.33 30.26 92.05 52.09 -64.15 -40.55 3.78 0.03 96.18 1.10 0.43 2.03 93.96 2.46 0.00 0.02 0.01 47 S H H 57.06 4.84 19.29 24.72 91.79 52.00 -64.52 -39.49 4.98 0.04 94.97 1.12 0.49 3.11 91.27 3.96 0.01 0.03 0.01 48 R H H 137.20 2.23 20.18 21.62 92.49 50.24 -66.09 -39.64 7.12 0.08 92.80 1.22 0.76 4.98 88.41 4.54 0.02 0.05 0.02 49 L H H 53.29 8.91 15.60 26.00 93.15 49.94 -68.04 -36.94 10.35 0.20 89.45 2.39 1.35 6.52 83.72 5.78 0.04 0.12 0.07 50 A H H 37.44 9.89 12.95 24.20 93.31 58.54 -65.99 -33.64 23.67 0.53 75.79 5.57 2.60 15.23 68.78 7.23 0.07 0.32 0.21 51 H H H 129.08 2.58 15.02 18.08 95.92 54.65 -74.71 -21.61 39.08 0.84 60.07 8.26 4.29 26.42 52.71 7.37 0.09 0.48 0.38 52 Y C H 148.26 3.19 12.59 16.88 100.36 55.13 -83.58 -18.07 53.42 1.47 45.10 13.93 12.21 28.42 38.30 5.53 0.15 0.67 0.80 53 N C T 90.22 5.46 10.68 17.63 106.81 45.54 -99.62 65.37 72.25 0.98 26.77 23.05 14.81 34.38 22.10 4.65 0.02 0.41 0.57 54 K C T 157.59 2.34 11.56 15.43 99.10 -141.88 -63.77 9.63 79.71 0.88 19.41 26.58 20.57 33.16 12.04 6.68 0.01 0.36 0.60 55 R C C 155.29 3.26 11.80 16.50 107.75 94.72 -92.65 78.53 81.35 1.70 16.95 40.93 18.66 22.30 8.30 8.04 0.01 0.79 0.97 56 S C C 67.44 6.53 11.47 19.42 108.24 129.20 -88.27 88.38 85.01 3.42 11.57 50.46 20.42 14.56 4.59 6.72 0.00 2.03 1.21 57 T C C 90.32 4.69 15.41 21.37 116.24 75.82 -101.71 130.07 81.58 10.58 7.84 55.40 17.70 8.68 3.98 3.99 0.01 7.49 2.75 58 I C C 39.46 16.85 10.41 26.91 119.07 -151.63 -103.14 131.79 85.63 12.34 2.04 71.04 13.58 0.85 1.84 0.55 0.00 7.15 4.98 59 T C C 64.33 3.69 20.80 24.14 122.83 -136.49 -86.99 163.09 93.19 5.24 1.56 92.04 1.62 0.35 1.42 0.19 0.00 2.99 1.40 60 S H H 55.55 11.95 13.13 25.50 91.94 -105.32 -58.90 -39.00 2.62 0.01 97.37 0.71 0.44 1.25 97.17 0.43 0.00 0.00 0.00 61 R H H 155.97 1.98 18.57 20.46 91.64 52.57 -64.15 -39.85 0.98 0.00 99.02 0.16 0.09 0.59 98.82 0.34 0.00 0.00 0.00 62 E H H 82.62 7.41 18.86 27.01 91.81 49.54 -66.01 -40.69 0.43 0.00 99.57 0.10 0.04 0.24 99.26 0.36 0.00 0.00 0.00 63 I H H 15.17 20.33 15.34 35.64 91.88 50.05 -64.05 -42.87 0.18 0.00 99.82 0.04 0.01 0.09 99.76 0.10 0.00 0.00 0.00 64 Q H H 66.32 11.90 20.04 31.98 91.33 50.83 -62.74 -41.48 0.24 0.00 99.75 0.04 0.01 0.14 99.73 0.07 0.00 0.00 0.00 65 T H H 64.95 3.55 23.47 26.44 91.69 49.77 -64.70 -41.87 0.44 0.00 99.56 0.05 0.02 0.30 99.50 0.12 0.00 0.00 0.00 66 A H H 19.02 13.22 19.73 33.84 91.81 50.58 -64.21 -41.88 0.73 0.00 99.27 0.07 0.04 0.52 99.00 0.36 0.00 0.00 0.00 67 V H H 12.74 21.24 17.19 38.11 91.81 50.40 -64.32 -41.29 1.12 0.00 98.88 0.10 0.07 0.86 97.70 1.27 0.00 0.00 0.00 68 R H H 116.79 9.24 20.14 29.70 91.33 53.58 -64.80 -33.93 3.41 0.01 96.57 0.22 0.19 2.89 94.21 2.47 0.00 0.00 0.00 69 L H H 96.96 5.15 21.23 26.49 92.15 54.08 -71.19 -29.00 13.19 0.02 86.79 0.38 0.53 12.52 84.61 1.92 0.02 0.01 0.01 70 L H H 50.46 14.42 17.29 31.54 97.44 42.77 -89.97 -23.06 26.87 0.08 73.05 1.41 2.91 22.42 71.87 1.25 0.05 0.02 0.06 71 L C S 29.93 18.51 11.83 29.92 117.70 63.88 -109.06 125.28 98.28 0.35 1.36 18.69 78.01 1.49 1.29 0.15 0.00 0.09 0.28 72 P C C 81.81 4.40 16.79 22.07 114.34 -128.17 -68.62 147.76 91.45 0.39 8.16 65.62 13.54 11.95 6.44 1.99 0.00 0.15 0.32 73 G H H 45.41 2.56 17.14 20.00 119.84 17.88 76.95 -153.15 38.10 0.47 61.44 8.78 14.89 16.11 53.78 5.88 0.08 0.16 0.33 74 E H H 130.81 2.90 17.19 20.58 93.52 -21.95 -66.63 -34.57 12.53 0.18 87.29 3.03 2.31 7.36 78.83 8.24 0.06 0.10 0.08 75 L H H 47.41 12.45 14.81 28.09 92.02 54.58 -64.76 -38.78 6.50 0.20 93.30 2.40 0.98 3.24 84.85 8.33 0.02 0.14 0.04 76 A H H 21.48 14.99 14.04 29.62 91.96 54.15 -64.14 -38.86 4.62 0.14 95.23 1.80 0.65 2.15 87.51 7.75 0.01 0.11 0.02 77 K H H 128.32 3.16 20.96 24.35 92.31 51.38 -66.25 -36.92 9.06 0.24 90.70 2.07 1.17 5.80 83.01 7.68 0.03 0.18 0.06 78 H H H 89.28 6.53 19.61 26.70 94.97 50.08 -74.22 -32.28 16.97 0.55 82.47 4.38 2.42 10.56 75.57 6.46 0.07 0.37 0.17 79 A H H 21.18 16.98 14.81 31.64 95.02 68.73 -67.07 -40.07 26.15 2.54 71.31 14.22 4.98 8.80 64.68 4.95 0.07 1.60 0.70 80 V H H 64.61 11.29 17.79 29.02 96.47 50.05 -70.30 -35.72 30.70 4.09 65.22 16.93 5.52 10.08 58.12 5.41 0.11 2.80 1.03 81 S H H 64.16 4.48 18.90 23.64 96.65 56.07 -72.91 -36.47 39.58 2.87 57.55 18.47 7.77 14.99 50.31 5.68 0.11 1.74 0.92 82 E C H 105.95 6.54 17.68 24.79 96.56 43.53 -73.63 -27.35 56.12 0.96 42.92 11.49 11.09 32.95 37.95 5.50 0.08 0.45 0.48 83 G C T 25.11 12.52 15.51 28.11 99.17 48.48 -61.18 -38.19 66.19 0.85 32.95 21.71 13.20 31.33 27.69 5.26 0.02 0.38 0.42 84 T C H 57.48 11.05 15.93 27.34 95.91 57.50 -70.67 -33.35 50.27 1.95 47.77 34.30 8.18 8.14 41.98 5.69 0.01 1.09 0.61 85 K H H 118.78 4.22 19.49 24.15 94.16 59.27 -67.35 -35.71 38.74 4.07 57.18 25.52 7.15 7.79 49.35 6.45 0.04 2.81 0.89 86 A H H 40.26 9.06 16.30 26.58 93.95 56.14 -67.27 -35.85 31.92 5.79 62.29 22.60 5.18 5.99 53.79 6.79 0.04 4.72 0.89 87 V H H 48.41 13.24 14.63 28.05 94.76 53.94 -70.16 -35.11 27.49 6.85 65.65 20.12 4.49 4.97 57.45 6.17 0.04 5.84 0.92 88 T H H 69.45 6.46 15.96 23.42 95.08 58.88 -70.52 -33.30 30.35 6.00 63.65 21.95 4.46 5.61 56.48 5.54 0.04 5.06 0.85 89 K H H 126.19 3.58 15.95 20.26 96.57 56.98 -73.75 -28.11 34.87 4.62 60.51 22.64 5.77 8.18 53.56 5.42 0.05 3.53 0.86 90 Y H H 111.67 8.79 11.59 21.29 99.29 62.03 -81.19 -15.70 41.40 3.06 55.54 24.26 7.55 11.24 49.58 4.57 0.05 1.90 0.84 91 T C H 81.10 6.41 10.94 18.68 103.27 65.21 -87.31 -0.13 52.36 2.41 45.23 29.66 8.42 14.56 41.94 3.26 0.03 1.27 0.85 92 S C C 82.35 2.85 10.34 14.79 104.77 82.56 -86.32 36.88 76.41 0.94 22.66 54.88 2.75 17.35 22.28 1.81 0.00 0.46 0.47 93 S C C 84.11 3.08 12.20 16.79 105.46 60.75 -86.96 37.61 99.93 0.03 0.04 99.73 0.11 0.11 0.02 0.00 0.00 0.01 0.00