# 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 F C C 116.74 7.81 12.78 21.68 113.65 -153.95 -96.34 121.12 99.32 0.64 0.04 99.27 0.18 0.10 0.01 0.01 0.00 0.36 0.08 1 I C C 112.07 4.86 10.60 17.11 111.02 -159.29 -92.78 120.14 89.25 6.58 4.17 64.58 4.21 20.68 2.11 1.58 0.00 4.91 1.93 2 G C C 51.68 3.08 11.34 15.73 108.29 22.65 84.72 -6.18 90.26 5.08 4.66 38.54 24.35 28.50 1.97 2.21 0.00 2.93 1.49 3 S C C 67.60 4.19 10.40 16.06 109.98 85.62 -84.05 137.28 85.24 1.80 12.96 55.93 22.48 6.34 11.04 2.47 0.00 0.69 1.04 4 S H H 77.30 2.74 13.29 16.74 98.72 -92.23 -73.24 -26.58 46.48 0.55 52.98 25.57 12.67 7.45 52.31 1.55 0.01 0.18 0.27 5 T H H 63.04 8.24 12.74 22.02 94.92 60.90 -67.59 -37.30 13.06 0.12 86.82 6.15 2.48 4.37 85.84 1.05 0.01 0.05 0.05 6 N H H 70.79 8.86 13.97 23.69 93.46 54.03 -66.15 -39.07 5.14 0.07 94.79 2.55 0.76 1.91 93.91 0.81 0.00 0.03 0.02 7 L H H 99.07 2.72 17.34 20.14 92.64 51.15 -65.74 -40.56 1.68 0.03 98.29 0.77 0.22 0.69 97.85 0.45 0.00 0.02 0.00 8 I H H 81.54 4.87 17.68 23.24 92.23 49.91 -65.35 -42.06 0.62 0.01 99.36 0.25 0.07 0.26 99.24 0.17 0.00 0.00 0.00 9 M H H 56.22 12.58 15.93 29.11 92.44 49.76 -64.71 -42.13 0.46 0.01 99.53 0.15 0.04 0.22 99.48 0.11 0.00 0.00 0.00 10 V H H 68.39 6.71 18.40 25.93 92.08 49.67 -64.26 -41.82 0.56 0.00 99.44 0.13 0.04 0.30 99.42 0.10 0.00 0.00 0.00 11 A H H 62.73 2.34 21.33 22.47 91.83 49.09 -64.81 -41.37 0.65 0.00 99.35 0.12 0.05 0.36 99.38 0.08 0.00 0.00 0.00 12 S H H 39.04 8.72 18.47 28.04 92.60 49.54 -65.79 -40.97 1.05 0.00 98.95 0.18 0.08 0.62 99.04 0.08 0.00 0.00 0.00 13 T H H 34.59 14.47 17.07 31.72 92.22 50.93 -64.70 -41.88 1.30 0.00 98.70 0.19 0.12 0.86 98.73 0.10 0.00 0.00 0.00 14 T H H 73.69 3.97 21.20 25.10 91.85 50.21 -63.97 -41.26 1.16 0.00 98.84 0.20 0.12 0.73 98.83 0.10 0.00 0.00 0.00 15 A H H 59.14 3.14 21.29 23.89 91.86 49.97 -64.79 -41.98 0.70 0.01 99.30 0.17 0.08 0.39 99.17 0.19 0.00 0.00 0.00 16 T H H 37.40 12.54 17.10 30.32 92.15 49.94 -64.69 -41.94 0.74 0.02 99.24 0.21 0.08 0.44 98.95 0.31 0.00 0.01 0.00 17 L H H 65.58 9.86 18.12 28.60 91.74 50.13 -63.80 -41.59 0.66 0.01 99.33 0.10 0.05 0.44 99.07 0.33 0.00 0.01 0.00 18 A H H 61.37 2.34 20.27 21.64 91.68 50.09 -64.09 -42.16 1.36 0.03 98.62 0.16 0.10 1.00 98.17 0.54 0.01 0.01 0.00 19 A H H 47.55 5.51 17.03 23.56 92.04 50.72 -65.27 -40.12 3.40 0.05 96.54 0.42 0.29 2.53 95.24 1.46 0.02 0.03 0.01 20 A H H 31.61 12.89 12.91 26.54 92.18 53.10 -65.63 -36.65 9.47 0.12 90.41 1.27 0.77 7.29 85.82 4.68 0.05 0.07 0.05 21 R H H 144.70 4.17 16.24 21.55 93.13 52.40 -69.62 -27.97 17.07 0.32 82.61 1.59 1.32 14.51 77.73 4.42 0.11 0.17 0.15 22 F H H 145.61 2.12 15.65 17.74 98.75 46.73 -90.72 -6.37 36.84 1.41 61.75 4.14 4.74 28.60 55.23 5.43 0.45 0.73 0.68 23 G C T 41.34 6.85 12.97 20.94 108.55 -62.95 -75.70 57.17 62.94 3.71 33.35 12.60 9.50 40.35 28.88 4.97 0.25 1.99 1.46 24 L C C 97.50 6.34 12.69 20.42 109.90 -85.66 -93.62 104.06 65.90 9.18 24.92 29.75 19.83 17.98 17.36 6.20 0.38 4.45 4.07 25 A C C 54.10 8.58 11.76 21.60 115.99 -111.95 -82.17 140.88 64.59 5.41 30.00 27.53 17.64 20.66 16.44 12.47 0.19 2.85 2.22 26 P C T 87.39 5.11 13.55 19.89 104.44 -103.22 -71.31 111.19 66.75 2.60 30.66 25.75 14.79 26.83 16.83 13.21 0.06 1.38 1.15 27 T C C 83.20 5.98 11.98 19.37 108.46 70.83 -90.88 99.29 57.92 7.68 34.40 30.84 12.08 15.86 20.16 13.62 0.16 4.58 2.70 28 V C C 82.65 7.47 11.03 19.80 115.43 141.07 -97.01 130.58 55.92 13.04 31.03 31.33 14.36 11.60 21.79 8.47 0.30 7.95 4.19 29 K C C 126.66 5.09 11.99 18.69 113.29 -151.65 -96.07 123.77 60.70 11.46 27.84 36.23 13.97 11.02 20.05 7.81 0.15 7.28 3.49 30 K C C 129.43 5.61 11.64 18.84 110.41 -150.61 -85.63 124.28 69.16 6.58 24.26 36.40 14.28 18.69 16.64 7.66 0.07 4.11 2.14 31 N C C 103.92 4.62 12.93 18.79 104.19 30.22 -84.68 71.65 77.51 5.16 17.33 44.48 14.11 19.04 10.52 6.76 0.02 2.90 2.16 32 T C C 75.79 8.07 10.43 19.59 101.78 145.31 -81.58 0.06 75.46 4.34 20.20 38.35 16.59 21.07 10.92 8.84 0.03 2.31 1.89 33 T C C 95.40 3.85 13.01 18.21 101.90 61.38 -89.49 7.98 78.18 4.04 17.78 37.52 17.99 23.58 8.24 8.70 0.03 2.01 1.93 34 A C T 67.67 5.94 11.98 19.40 108.49 111.79 -81.54 116.27 82.21 2.86 14.94 30.22 20.61 32.46 5.31 8.57 0.01 1.43 1.40 35 G C C 46.39 5.55 14.00 20.69 106.95 8.31 88.43 -22.42 87.38 3.51 9.11 35.84 22.39 30.00 2.29 6.20 0.00 1.90 1.38 36 L C C 74.45 11.37 11.44 23.26 114.44 55.40 -91.88 133.63 84.52 8.38 7.10 64.30 14.67 5.39 2.45 4.77 0.00 5.39 3.03 37 K C C 136.38 3.85 17.15 22.17 113.89 -138.58 -86.33 131.63 77.61 16.74 5.65 60.15 11.67 5.12 2.22 3.63 0.01 11.46 5.74 38 L C C 75.99 12.35 12.12 24.71 115.21 -138.87 -91.71 130.33 72.65 23.51 3.84 57.17 10.59 3.45 1.78 2.34 0.02 15.81 8.85 39 V C C 68.95 8.99 12.83 23.12 118.25 -149.79 -100.81 136.79 76.23 21.22 2.56 62.62 9.46 2.80 1.30 1.43 0.00 16.11 6.28 40 D C C 93.20 5.15 13.05 19.74 109.35 -135.88 -89.79 113.27 87.41 9.67 2.91 68.42 14.00 4.81 1.21 1.71 0.00 7.36 2.48 41 S C C 65.58 6.34 10.65 18.51 106.19 -161.61 -85.44 54.82 77.23 5.41 17.36 37.12 20.03 21.31 5.16 11.34 0.02 3.35 1.66 42 K C T 148.28 2.31 12.12 15.50 99.45 92.16 -79.60 -15.24 68.05 8.25 23.70 24.39 19.70 26.27 7.30 14.51 0.14 4.84 2.85 43 N C C 92.14 5.52 9.62 16.69 105.36 60.49 -94.14 38.90 65.28 10.10 24.62 33.25 15.98 17.87 7.34 16.01 0.09 6.01 3.46 44 S C C 71.16 5.07 9.45 16.05 101.56 85.98 -82.37 -4.31 67.41 8.86 23.73 27.92 13.38 27.90 7.00 15.23 0.09 5.26 3.22 45 A C T 83.55 2.36 11.69 15.00 98.42 61.40 -83.15 4.13 81.18 1.71 17.11 11.29 15.93 53.99 4.11 12.73 0.02 1.00 0.93 46 G C T 53.90 2.93 12.76 16.81 100.19 -92.23 82.78 4.51 86.92 3.51 9.57 18.03 25.60 43.84 1.56 7.59 0.01 2.32 1.05 47 V C C 71.78 7.82 10.87 20.28 117.86 119.82 -100.28 133.97 67.02 29.32 3.66 45.88 13.03 8.26 1.15 2.78 0.02 23.68 5.20 48 I C C 101.43 6.42 13.95 22.00 120.06 -161.68 -112.09 135.48 53.45 44.57 1.97 38.77 10.55 3.35 0.88 1.40 0.04 35.20 9.81 49 S C C 42.35 11.72 11.75 24.15 125.84 -167.78 -117.42 152.69 62.52 36.37 1.12 47.98 10.07 3.30 0.40 0.88 0.00 31.58 5.79 50 N C C 120.60 3.21 16.51 20.71 101.04 -139.24 -89.10 12.20 83.77 15.70 0.53 42.06 38.22 4.26 0.11 0.49 0.00 12.91 1.95 51 D C C 61.64 10.15 12.30 23.68 113.99 112.46 -95.71 122.71 92.17 7.41 0.42 60.69 29.68 2.21 0.11 0.36 0.00 4.83 2.12 52 P C C 87.63 6.54 14.87 22.74 98.61 -141.87 -69.47 -4.89 92.23 3.87 3.90 38.98 18.09 35.36 0.52 3.56 0.00 2.45 1.04 53 A C T 60.05 8.08 16.52 25.19 101.59 94.28 -84.21 -1.19 90.25 5.05 4.70 24.55 23.32 42.62 0.62 4.30 0.00 2.93 1.66 54 G C C 25.95 11.80 18.33 30.20 119.49 -116.44 90.51 164.64 89.46 7.53 3.01 49.44 27.05 13.17 0.54 2.73 0.00 4.32 2.74 55 F C C 41.26 20.07 15.25 34.39 119.61 -74.62 -97.50 136.06 81.32 17.95 0.73 70.32 9.10 0.71 0.48 0.31 0.00 7.16 11.93 56 T C C 47.33 8.58 23.37 31.88 128.02 -157.83 -103.49 171.20 85.01 14.03 0.96 78.26 6.23 0.31 0.98 0.13 0.00 3.65 10.43 57 I H H 75.98 13.75 18.53 32.09 90.99 -96.99 -59.42 -37.93 0.80 0.00 99.20 0.10 0.10 0.48 99.20 0.13 0.00 0.00 0.00 58 V H H 78.22 5.80 23.54 29.51 91.75 52.80 -64.09 -41.31 0.25 0.00 99.75 0.03 0.02 0.16 99.69 0.10 0.00 0.00 0.00 59 D H H 32.66 15.12 21.63 36.58 91.69 49.48 -65.18 -41.20 0.07 0.00 99.93 0.01 0.00 0.04 99.87 0.07 0.00 0.00 0.00 60 V H H 14.38 21.84 20.78 41.68 92.05 49.68 -64.46 -42.96 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 61 L H H 64.24 11.80 25.12 36.64 91.68 49.39 -63.83 -42.40 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 62 A H H 44.70 7.65 26.57 34.48 91.49 49.27 -63.85 -42.41 0.19 0.00 99.81 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 63 M H H 35.48 16.84 25.02 41.18 91.84 48.53 -65.09 -41.92 0.53 0.00 99.47 0.03 0.02 0.43 99.46 0.06 0.00 0.00 0.00 64 G H H 8.78 20.49 23.20 42.60 91.84 51.21 -63.61 -42.29 1.96 0.00 98.03 0.11 0.09 1.55 98.13 0.12 0.00 0.00 0.00 65 A H H 44.59 8.99 26.71 36.27 91.51 49.96 -63.68 -42.32 2.02 0.00 97.97 0.24 0.17 1.44 97.97 0.18 0.00 0.00 0.00 66 A H H 45.34 7.76 27.50 35.32 91.52 49.64 -64.09 -42.66 1.09 0.00 98.91 0.18 0.11 0.71 98.84 0.16 0.00 0.00 0.00 67 G H H 10.47 17.74 22.68 40.01 91.85 50.59 -63.93 -42.47 0.86 0.00 99.14 0.17 0.07 0.52 99.09 0.14 0.00 0.00 0.00 68 H H H 54.76 15.94 23.49 38.52 91.68 50.72 -63.71 -41.99 0.62 0.00 99.38 0.11 0.05 0.39 99.31 0.13 0.00 0.00 0.00 69 G H H 34.66 5.94 25.80 32.00 91.68 50.06 -63.97 -42.53 0.45 0.00 99.55 0.07 0.03 0.29 99.51 0.10 0.00 0.00 0.00 70 L H H 72.29 7.38 25.59 32.85 91.83 48.33 -64.62 -42.06 0.38 0.00 99.62 0.04 0.02 0.24 99.62 0.07 0.00 0.00 0.00 71 G H H 11.20 16.93 20.06 37.10 92.13 50.91 -63.87 -42.50 0.44 0.00 99.56 0.04 0.02 0.30 99.58 0.06 0.00 0.00 0.00 72 V H H 55.53 10.85 22.32 33.27 91.64 49.78 -63.70 -42.60 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 73 G H H 35.03 4.57 23.38 27.50 91.76 50.55 -64.09 -42.29 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 74 I H H 67.15 8.30 21.20 29.79 92.03 49.27 -64.95 -42.33 0.24 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 75 V H H 40.96 13.26 18.28 31.91 92.13 48.74 -64.42 -42.76 0.38 0.00 99.62 0.03 0.02 0.26 99.60 0.09 0.00 0.00 0.00 76 L H H 80.43 5.14 19.55 25.31 91.59 49.32 -63.32 -41.62 1.03 0.00 98.96 0.10 0.06 0.73 98.81 0.29 0.00 0.00 0.00 77 G H H 36.82 3.45 17.96 21.62 91.90 50.87 -64.18 -40.67 4.14 0.01 95.85 0.36 0.25 3.30 95.19 0.89 0.01 0.00 0.00 78 L H H 73.88 7.54 15.27 23.81 92.61 50.12 -66.98 -38.27 8.16 0.03 91.81 1.03 0.74 6.21 90.22 1.76 0.01 0.01 0.02 79 K H H 118.11 5.73 14.47 21.19 93.53 53.32 -67.82 -33.56 16.14 0.11 83.74 2.53 1.89 11.93 81.03 2.46 0.04 0.05 0.07 80 G H H 53.34 2.12 13.12 15.92 95.83 52.32 -74.14 -19.10 38.51 0.33 61.16 8.00 4.38 26.53 57.49 3.22 0.04 0.14 0.20 81 I C H 118.53 3.29 10.10 15.01 102.00 65.31 -81.09 -1.82 57.04 0.89 42.07 12.99 8.18 35.94 38.28 3.62 0.07 0.36 0.55 82 G C C 58.76 1.87 11.49 14.40 103.35 7.51 71.53 2.75 84.68 0.35 14.97 44.48 2.23 36.92 14.66 1.34 0.00 0.17 0.21 83 A C C 74.73 4.50 11.78 17.87 105.02 103.50 -81.11 46.54 99.93 0.04 0.04 99.79 0.09 0.08 0.02 0.00 0.00 0.02 0.01