# 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 M C C 89.82 8.62 11.52 21.21 113.94 -149.33 -85.96 136.41 99.96 0.02 0.02 99.92 0.04 0.02 0.01 0.00 0.00 0.00 0.00 1 S C C 59.56 4.01 12.00 17.46 113.98 -120.20 -73.81 157.08 70.89 0.71 28.41 67.93 0.55 2.46 27.92 0.53 0.00 0.18 0.42 2 M H H 130.21 2.13 11.83 14.86 93.54 -109.79 -62.79 -36.38 9.64 0.05 90.32 4.04 1.56 3.92 89.40 1.03 0.00 0.02 0.03 3 V H H 73.10 6.09 12.03 19.53 92.46 52.43 -65.30 -40.13 3.91 0.02 96.07 1.33 0.50 1.94 95.14 1.07 0.00 0.01 0.01 4 Y H H 105.34 6.34 13.41 21.25 92.16 50.51 -65.53 -40.35 1.92 0.02 98.07 0.69 0.22 0.93 97.12 1.03 0.00 0.01 0.00 5 M H H 100.80 2.44 16.19 18.56 91.98 49.95 -64.46 -41.30 1.19 0.01 98.80 0.36 0.11 0.59 98.54 0.38 0.00 0.00 0.00 6 N H H 74.54 4.46 16.65 21.90 92.04 50.16 -65.11 -41.01 1.04 0.00 98.96 0.26 0.07 0.55 98.93 0.19 0.00 0.00 0.00 7 I H H 47.95 11.82 14.94 27.62 92.05 50.05 -64.65 -41.56 0.56 0.00 99.44 0.08 0.03 0.34 99.43 0.13 0.00 0.00 0.00 8 M H H 87.51 5.80 18.49 25.09 91.76 50.82 -64.04 -41.05 0.36 0.00 99.64 0.04 0.02 0.22 99.62 0.09 0.00 0.00 0.00 9 M H H 100.94 2.74 20.64 22.33 91.72 49.85 -64.51 -41.72 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 10 A H H 34.06 9.77 17.29 28.24 91.67 50.51 -64.38 -41.71 0.19 0.00 99.81 0.02 0.00 0.12 99.80 0.05 0.00 0.00 0.00 11 F H H 67.45 12.64 17.54 30.35 91.98 49.27 -64.57 -41.24 0.26 0.00 99.74 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 12 T H H 71.07 3.99 21.50 24.92 91.78 50.24 -64.41 -41.82 0.32 0.00 99.68 0.02 0.01 0.22 99.69 0.06 0.00 0.00 0.00 13 V H H 74.39 4.30 21.64 25.68 91.63 49.69 -64.54 -42.22 0.25 0.00 99.75 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 14 S H H 21.10 14.86 16.16 31.72 91.77 50.71 -64.02 -41.66 0.28 0.00 99.72 0.02 0.01 0.20 99.65 0.12 0.00 0.00 0.00 15 L H H 70.41 8.11 20.00 28.73 91.76 50.06 -63.86 -41.60 0.29 0.00 99.71 0.02 0.01 0.22 99.57 0.18 0.00 0.00 0.00 16 V H H 79.29 2.90 21.91 23.48 91.64 50.05 -63.69 -42.01 0.40 0.00 99.60 0.02 0.02 0.32 99.33 0.31 0.00 0.00 0.00 17 G H H 17.18 9.51 16.30 27.66 91.75 51.18 -63.54 -41.52 0.99 0.00 99.01 0.05 0.04 0.83 98.25 0.82 0.00 0.00 0.00 18 L H H 50.28 12.97 14.66 28.15 91.86 51.21 -65.02 -39.06 1.94 0.00 98.06 0.07 0.08 1.78 96.11 1.95 0.00 0.00 0.00 19 L H H 102.84 3.22 17.84 21.19 92.06 50.73 -68.27 -33.28 6.46 0.01 93.54 0.22 0.32 5.96 90.76 2.73 0.01 0.00 0.00 20 M H H 114.29 2.73 16.41 19.21 94.65 50.71 -74.66 -25.02 25.24 0.09 74.66 1.62 2.40 21.26 71.54 3.02 0.07 0.03 0.07 21 Y C T 81.78 11.59 10.47 22.54 102.85 55.37 -93.85 41.67 64.48 1.03 34.49 21.76 9.55 33.68 30.06 3.83 0.04 0.35 0.73 22 R C T 146.92 5.23 13.01 19.88 97.59 113.12 -67.89 -25.01 88.34 0.85 10.81 21.74 10.11 56.93 7.27 3.06 0.01 0.38 0.51 23 S C T 87.39 1.94 15.11 16.86 98.73 46.38 -89.46 -14.11 91.45 0.40 8.16 10.10 26.39 55.78 3.65 3.66 0.00 0.19 0.25 24 H C C 88.80 6.22 12.44 20.44 116.08 52.52 -120.41 114.36 92.43 2.61 4.95 61.22 27.99 2.78 3.63 1.23 0.00 0.64 2.50 25 L H H 102.57 5.22 13.71 20.66 93.22 -150.77 -61.90 -37.94 5.28 0.02 94.70 1.01 1.08 3.05 94.04 0.79 0.00 0.01 0.01 26 M H H 110.03 3.50 17.57 21.53 91.94 53.32 -64.28 -40.23 2.28 0.00 97.71 0.25 0.19 1.63 97.23 0.69 0.00 0.00 0.00 27 S H H 29.64 9.47 16.30 27.30 91.68 49.45 -65.48 -40.14 0.61 0.00 99.39 0.10 0.04 0.38 98.92 0.56 0.00 0.00 0.00 28 S H H 25.55 12.20 16.26 29.67 91.71 53.04 -63.32 -41.41 0.21 0.00 99.79 0.04 0.01 0.11 99.67 0.17 0.00 0.00 0.00 29 L H H 74.46 6.96 21.30 28.31 91.87 50.45 -64.49 -41.41 0.15 0.00 99.85 0.01 0.01 0.09 99.81 0.07 0.00 0.00 0.00 30 L H H 72.92 7.10 21.47 29.07 91.80 50.19 -64.41 -41.38 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 31 C H H 30.84 12.72 18.78 32.22 91.86 50.99 -63.78 -42.15 0.31 0.00 99.69 0.03 0.01 0.23 99.69 0.05 0.00 0.00 0.00 32 L H H 64.12 8.82 21.95 31.04 91.87 50.07 -64.20 -41.86 0.18 0.00 99.82 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 33 E H H 77.65 7.30 21.76 29.38 91.68 51.02 -63.96 -42.15 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 34 G H H 21.22 10.29 19.47 30.71 91.82 50.83 -63.95 -41.36 0.14 0.00 99.86 0.02 0.00 0.09 99.87 0.03 0.00 0.00 0.00 35 M H H 74.39 8.67 21.17 30.21 92.00 50.20 -64.64 -41.27 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 36 M H H 78.44 7.30 21.54 28.89 91.93 50.18 -64.34 -41.95 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 37 L H H 64.07 9.10 20.31 29.94 92.00 50.04 -64.60 -40.98 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 38 S H H 34.63 9.80 18.91 29.68 91.97 52.03 -63.93 -41.43 0.16 0.00 99.84 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 39 L H H 76.86 6.09 21.31 27.37 91.81 50.86 -64.62 -41.57 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 40 F H H 89.49 7.58 20.21 28.29 91.95 50.20 -64.61 -42.02 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 41 V H H 51.82 10.30 18.98 29.90 92.09 50.05 -63.97 -42.05 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 42 M H H 82.56 6.74 20.66 27.71 91.92 50.40 -64.34 -41.20 0.17 0.00 99.83 0.01 0.00 0.13 99.78 0.08 0.00 0.00 0.00 43 A H H 46.72 5.86 19.83 26.18 91.96 50.74 -64.36 -41.39 0.45 0.00 99.55 0.02 0.01 0.36 99.44 0.17 0.00 0.00 0.00 44 A H H 35.60 9.24 17.56 28.03 92.23 51.28 -64.87 -41.07 1.09 0.00 98.91 0.06 0.05 0.86 98.62 0.40 0.00 0.00 0.00 45 L H H 62.87 8.31 17.88 27.00 91.97 50.99 -64.61 -40.54 2.20 0.00 97.79 0.16 0.14 1.74 96.85 1.10 0.00 0.00 0.00 46 T H H 64.14 4.61 18.13 23.20 92.12 51.28 -65.09 -40.72 5.21 0.02 94.77 0.42 0.40 4.18 92.43 2.54 0.01 0.01 0.01 47 I H H 70.01 6.19 15.03 22.68 92.60 49.86 -67.05 -37.43 10.19 0.05 89.76 1.19 1.04 7.70 85.86 4.13 0.03 0.03 0.02 48 L H H 80.04 7.98 13.43 22.42 92.81 54.49 -68.33 -32.63 21.38 0.17 78.44 3.49 2.70 15.39 73.34 4.82 0.07 0.08 0.11 49 N H H 106.73 3.47 14.13 18.20 96.14 51.81 -82.95 -16.64 41.81 0.34 57.86 6.59 6.49 29.19 53.28 4.01 0.07 0.13 0.23 50 S C T 65.45 4.09 11.90 17.34 105.55 57.33 -95.98 -0.01 71.37 0.75 27.88 18.32 20.79 32.72 23.56 3.79 0.02 0.26 0.53 51 H C C 149.63 2.45 12.68 16.29 98.53 -121.83 -21.01 22.99 87.40 0.84 11.76 43.54 15.19 29.10 7.84 3.43 0.00 0.37 0.52 52 F C C 114.16 5.74 11.04 18.47 107.95 128.41 -90.04 91.43 83.17 1.27 15.56 56.91 13.70 12.32 10.80 4.88 0.00 0.55 0.84 53 T C C 79.54 4.72 13.92 19.78 104.10 -148.24 -80.36 -14.88 70.01 1.30 28.69 42.80 12.89 14.53 20.19 8.20 0.01 0.55 0.83 54 L H H 90.96 6.75 13.68 21.44 94.74 56.74 -67.35 -32.36 34.69 0.59 64.72 12.84 6.82 14.84 43.07 21.79 0.04 0.27 0.33 55 A H H 51.02 7.45 14.12 22.88 93.50 57.04 -67.63 -32.89 20.15 0.19 79.66 3.75 2.50 11.79 46.77 35.00 0.02 0.10 0.08 56 S H H 59.74 6.27 16.06 23.36 93.54 56.67 -74.20 -24.37 23.40 0.12 76.47 2.71 2.27 15.62 42.87 36.38 0.02 0.06 0.07 57 M H H 78.84 8.84 15.98 25.38 94.61 55.27 -76.88 -21.79 21.90 0.10 78.00 2.50 2.36 15.39 56.64 22.96 0.03 0.04 0.07 58 M H H 72.52 9.01 16.40 26.59 92.86 70.32 -62.27 -42.58 4.80 0.01 95.19 1.70 0.90 2.07 94.36 0.96 0.00 0.00 0.01 59 P H H 56.04 7.58 17.65 26.10 91.87 51.72 -64.45 -39.94 1.59 0.00 98.40 0.46 0.11 0.84 97.91 0.67 0.00 0.00 0.00 60 I H H 81.94 5.79 19.58 25.60 92.01 50.58 -65.02 -41.76 0.34 0.00 99.66 0.05 0.02 0.21 99.23 0.48 0.00 0.00 0.00 61 I H H 66.23 9.06 18.75 28.14 92.15 50.04 -64.39 -42.09 0.16 0.00 99.83 0.02 0.01 0.10 99.72 0.15 0.00 0.00 0.00 62 L H H 61.98 10.10 18.42 29.10 91.70 50.12 -64.42 -41.48 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 63 L H H 79.87 6.51 20.27 27.03 91.99 49.72 -64.53 -41.23 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.05 0.00 0.00 0.00 64 V H H 63.88 6.85 20.90 27.56 91.85 49.22 -64.41 -42.47 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 65 F H H 77.18 9.95 20.35 30.64 91.88 48.92 -64.67 -42.00 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 66 A H H 36.78 9.54 19.46 29.49 91.40 50.92 -63.27 -41.74 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 67 A H H 51.65 5.15 22.26 27.21 91.71 50.22 -64.36 -41.74 0.30 0.00 99.70 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 68 C H H 47.99 8.15 20.85 29.02 91.86 49.27 -64.80 -42.30 0.33 0.00 99.67 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 69 E H H 68.39 10.66 20.38 31.27 91.84 50.28 -64.07 -41.69 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 70 A H H 46.39 7.56 20.62 28.22 91.83 50.29 -63.59 -41.67 0.35 0.00 99.65 0.03 0.01 0.22 99.66 0.07 0.00 0.00 0.00 71 A H H 51.45 5.22 21.70 26.68 92.09 50.13 -64.41 -41.88 0.54 0.00 99.46 0.05 0.02 0.38 99.46 0.10 0.00 0.00 0.00 72 L H H 69.18 8.18 20.56 28.81 91.94 49.39 -65.06 -41.54 0.66 0.00 99.34 0.05 0.03 0.47 99.32 0.13 0.00 0.00 0.00 73 G H H 22.19 9.60 18.39 28.84 91.66 51.24 -63.04 -42.29 0.59 0.00 99.41 0.06 0.03 0.38 99.40 0.12 0.00 0.00 0.00 74 L H H 84.11 4.97 21.07 26.08 91.98 49.87 -64.42 -41.41 0.38 0.00 99.62 0.04 0.02 0.23 99.59 0.12 0.00 0.00 0.00 75 S H H 46.15 6.23 19.63 25.94 91.81 51.04 -64.35 -41.99 0.41 0.00 99.59 0.04 0.02 0.26 99.54 0.14 0.00 0.00 0.00 76 L H H 67.49 8.31 18.80 27.74 91.70 50.01 -64.66 -41.54 0.41 0.00 99.59 0.03 0.02 0.27 99.53 0.15 0.00 0.00 0.00 77 L H H 73.57 7.47 18.34 26.24 91.72 50.63 -64.18 -41.80 0.47 0.00 99.53 0.05 0.02 0.29 99.44 0.20 0.00 0.00 0.00 78 V H H 74.92 4.10 19.06 23.52 91.87 49.63 -64.18 -41.72 0.87 0.00 99.13 0.10 0.05 0.58 98.98 0.29 0.00 0.00 0.00 79 M H H 80.12 5.89 17.57 23.87 91.91 50.32 -64.78 -41.51 2.34 0.01 97.65 0.29 0.17 1.66 97.25 0.61 0.00 0.01 0.00 80 V H H 56.02 7.08 15.73 24.19 92.11 48.82 -65.32 -41.39 5.61 0.05 94.34 0.92 0.67 3.77 93.49 1.09 0.02 0.02 0.02 81 S H H 51.64 6.20 14.38 21.70 92.67 51.37 -65.96 -38.28 9.67 0.14 90.20 2.60 1.48 5.72 88.11 1.94 0.04 0.06 0.06 82 N H H 102.51 3.11 15.14 18.74 94.98 47.78 -73.64 -33.96 15.48 0.15 84.37 2.53 2.08 11.12 80.94 3.11 0.07 0.07 0.08 83 T H H 86.25 3.18 15.11 18.75 99.35 39.06 -84.91 -35.74 22.16 0.20 77.64 2.92 3.41 16.24 74.34 2.78 0.10 0.08 0.12 84 Y H H 132.90 4.37 13.79 19.08 102.79 29.45 -102.22 -11.64 37.41 0.67 61.91 7.78 11.15 20.18 57.86 2.22 0.15 0.22 0.44 85 G C C 30.87 6.59 13.72 21.78 114.93 -120.52 69.89 -75.24 79.41 0.72 19.87 53.90 9.11 15.81 16.67 3.76 0.00 0.32 0.43 86 T C H 77.46 6.01 13.33 20.49 97.24 -32.44 -72.22 -27.39 51.18 0.98 47.84 28.28 10.65 13.64 39.11 7.36 0.02 0.43 0.51 87 D H H 90.95 3.02 14.97 18.53 94.35 60.27 -68.20 -33.17 38.71 0.78 60.51 20.07 7.14 12.65 51.61 7.77 0.03 0.39 0.34 88 Y H H 110.23 5.27 13.59 20.22 93.58 54.04 -67.39 -38.03 26.28 0.71 73.01 12.64 5.30 9.59 62.80 8.98 0.03 0.39 0.26 89 V H H 65.98 6.56 12.29 20.48 93.85 51.88 -67.35 -39.65 20.65 0.74 78.61 10.11 3.97 7.71 67.59 9.88 0.04 0.45 0.25 90 Q H H 110.57 2.57 14.11 17.41 93.18 52.46 -67.39 -36.28 22.33 0.54 77.13 9.00 4.01 9.97 66.85 9.60 0.04 0.32 0.20 91 N H H 92.16 2.82 13.00 16.69 95.81 51.20 -75.91 -23.92 30.12 0.46 69.43 12.38 4.28 13.78 59.47 9.60 0.02 0.24 0.22 92 L H H 86.33 5.19 10.21 17.20 95.36 64.66 -69.55 -33.25 24.72 0.44 74.85 9.93 4.35 10.59 60.44 14.24 0.03 0.24 0.19 93 N H H 104.54 2.62 10.95 14.86 96.90 58.85 -72.53 -23.16 27.08 0.55 72.37 10.50 3.84 12.13 56.28 16.69 0.03 0.32 0.22 94 L H H 114.84 2.18 9.48 12.99 97.69 62.48 -75.60 -21.49 31.32 0.89 67.79 12.24 4.99 13.68 50.40 17.78 0.05 0.51 0.35 95 L H H 119.24 2.47 8.40 12.37 101.59 67.78 -82.51 -3.41 45.28 2.12 52.60 21.86 7.69 17.28 39.02 11.98 0.08 1.14 0.95 96 Q C C 139.95 1.59 8.34 11.30 106.19 69.99 -86.73 62.72 74.20 1.26 24.54 55.07 1.82 17.80 20.49 3.49 0.00 0.70 0.62 97 C C C 87.79 4.57 9.85 16.12 109.21 111.47 -90.55 103.20 99.97 0.02 0.01 99.92 0.04 0.03 0.01 0.00 0.00 0.01 0.00