# 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 89.91 8.84 11.21 21.08 114.18 -134.20 -83.06 139.76 99.97 0.01 0.01 99.92 0.05 0.02 0.01 0.00 0.00 0.00 0.00 1 S C C 57.89 4.09 12.25 17.79 115.40 -116.59 -73.55 156.43 84.12 0.60 15.29 82.18 0.48 1.64 14.85 0.33 0.00 0.14 0.38 2 L H H 117.70 2.39 11.92 15.35 93.23 -107.14 -61.10 -36.63 6.84 0.03 93.14 2.50 1.11 3.01 92.51 0.84 0.00 0.01 0.02 3 V H H 71.87 6.53 12.09 20.02 92.28 52.77 -64.89 -40.06 2.89 0.01 97.10 0.78 0.33 1.59 96.38 0.91 0.00 0.00 0.00 4 Y H H 106.44 6.23 13.78 21.45 92.12 50.05 -65.63 -40.39 1.38 0.01 98.61 0.39 0.14 0.74 97.77 0.95 0.00 0.00 0.00 5 M H H 100.28 2.46 16.45 18.80 91.89 49.77 -64.49 -41.35 0.87 0.00 99.13 0.22 0.08 0.46 98.91 0.34 0.00 0.00 0.00 6 N H H 70.75 5.15 16.60 22.71 92.00 50.34 -65.02 -41.10 0.83 0.00 99.17 0.18 0.05 0.46 99.14 0.16 0.00 0.00 0.00 7 I H H 47.18 12.11 15.03 27.96 91.95 50.09 -64.59 -41.60 0.50 0.00 99.50 0.06 0.02 0.32 99.49 0.12 0.00 0.00 0.00 8 M H H 90.16 5.21 18.97 24.89 91.75 50.42 -64.05 -40.94 0.39 0.00 99.61 0.04 0.02 0.24 99.60 0.10 0.00 0.00 0.00 9 M H H 99.46 2.95 20.71 22.68 91.67 49.89 -64.45 -41.61 0.27 0.00 99.73 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 10 A H H 31.09 10.76 17.03 28.93 91.51 50.61 -64.27 -41.87 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 11 F H H 69.88 12.31 17.89 30.37 91.84 49.42 -64.35 -41.33 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 12 T H H 72.24 3.69 21.76 24.76 91.76 50.13 -64.33 -41.78 0.28 0.00 99.72 0.02 0.01 0.19 99.71 0.06 0.00 0.00 0.00 13 V H H 72.13 4.93 21.49 26.28 91.64 49.52 -64.52 -42.09 0.27 0.00 99.73 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 14 S H H 20.61 15.18 16.13 31.94 91.62 50.69 -63.98 -41.84 0.34 0.00 99.66 0.03 0.01 0.24 99.57 0.14 0.00 0.00 0.00 15 L H H 72.09 7.68 20.22 28.53 91.68 50.05 -63.73 -41.47 0.36 0.00 99.64 0.02 0.01 0.28 99.44 0.24 0.00 0.00 0.00 16 T H H 70.89 3.24 21.62 23.62 91.69 50.19 -63.85 -41.72 0.50 0.00 99.50 0.03 0.02 0.40 99.08 0.46 0.00 0.00 0.00 17 G H H 17.52 9.94 16.00 27.69 91.77 51.24 -63.71 -41.13 1.12 0.00 98.88 0.06 0.05 0.95 97.76 1.18 0.00 0.00 0.00 18 L H H 54.77 12.74 14.77 27.93 91.98 51.62 -65.44 -37.01 2.29 0.00 97.71 0.08 0.09 2.14 95.17 2.52 0.00 0.00 0.00 19 L H H 106.18 3.29 17.74 21.17 92.44 51.68 -71.01 -29.33 8.32 0.01 91.67 0.26 0.42 7.75 88.64 2.92 0.01 0.00 0.01 20 M H H 114.55 3.16 16.22 19.52 96.57 52.72 -82.10 -20.41 32.05 0.20 67.75 2.73 3.66 25.76 64.45 3.10 0.09 0.07 0.14 21 Y C C 84.29 11.93 10.17 22.47 108.34 91.33 -93.21 107.70 72.73 2.00 25.26 36.41 10.98 25.77 21.21 3.59 0.03 0.74 1.29 22 R C T 148.59 4.67 13.52 19.81 99.15 136.21 -85.98 -22.76 90.12 1.83 8.05 33.06 12.30 45.70 4.47 2.76 0.01 0.89 0.82 23 S C T 86.22 2.32 15.00 17.25 99.30 44.99 -91.56 -16.45 93.09 0.58 6.32 11.33 36.21 46.39 2.13 3.34 0.00 0.31 0.30 24 H C C 90.93 5.77 13.26 20.70 117.10 49.10 -122.59 117.70 92.52 2.95 4.53 59.27 29.99 2.88 3.18 1.21 0.00 0.74 2.73 25 L H H 96.51 6.73 13.51 21.88 93.49 -148.87 -61.35 -37.87 5.51 0.02 94.47 1.06 1.20 3.17 93.72 0.83 0.01 0.01 0.01 26 M H H 108.88 3.75 17.82 22.03 91.99 53.63 -64.20 -40.10 2.43 0.00 97.57 0.27 0.21 1.74 97.06 0.72 0.00 0.00 0.00 27 S H H 32.95 8.16 17.06 26.80 91.66 50.02 -65.34 -40.16 0.64 0.00 99.36 0.10 0.05 0.40 98.86 0.59 0.00 0.00 0.00 28 S H H 21.68 13.53 16.14 30.70 91.73 53.08 -63.22 -42.00 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 67.86 8.84 20.89 30.01 91.95 50.44 -64.10 -41.26 0.14 0.00 99.86 0.01 0.00 0.08 99.82 0.08 0.00 0.00 0.00 30 L H H 79.05 5.83 22.31 28.31 91.75 50.23 -64.47 -41.43 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 31 C H H 32.61 11.70 19.56 32.09 91.98 50.57 -63.98 -42.32 0.29 0.00 99.71 0.03 0.01 0.21 99.70 0.05 0.00 0.00 0.00 32 L H H 50.90 11.92 21.04 33.10 91.99 49.96 -64.27 -42.01 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 75.96 8.07 21.75 30.23 91.68 51.26 -63.92 -42.02 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 26.29 7.61 20.83 29.32 91.93 50.82 -64.01 -41.30 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 35 M H H 66.72 9.93 20.83 31.14 92.01 49.84 -64.90 -41.36 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 36 M H H 64.42 10.64 20.35 31.19 91.96 50.20 -63.97 -41.78 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 74.21 7.06 21.36 28.81 92.03 50.05 -64.90 -40.99 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 40.64 7.15 20.03 28.19 92.05 51.31 -64.03 -41.48 0.17 0.00 99.83 0.02 0.00 0.10 99.85 0.03 0.00 0.00 0.00 39 L H H 62.17 9.13 19.95 29.38 91.78 50.57 -64.70 -41.19 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 40 F H H 79.55 9.82 19.36 29.53 92.04 50.58 -64.14 -41.98 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 41 I H H 77.92 6.12 20.68 27.21 91.88 49.46 -64.25 -42.00 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 42 L H H 73.26 6.16 20.55 27.21 91.96 49.74 -64.43 -41.28 0.19 0.00 99.81 0.01 0.00 0.14 99.77 0.08 0.00 0.00 0.00 43 A H H 32.67 10.23 17.89 29.00 91.89 50.62 -64.14 -41.54 0.39 0.00 99.61 0.02 0.01 0.30 99.48 0.18 0.00 0.00 0.00 44 T H H 52.81 8.27 18.21 27.37 92.11 50.84 -64.65 -41.08 0.95 0.00 99.05 0.06 0.04 0.75 98.71 0.44 0.00 0.00 0.00 45 L H H 75.86 4.88 19.05 24.36 91.79 50.67 -64.73 -40.69 1.73 0.00 98.27 0.11 0.10 1.39 97.48 0.91 0.00 0.00 0.00 46 M H H 76.42 5.94 17.30 24.22 92.23 50.30 -65.05 -40.78 4.39 0.01 95.60 0.31 0.32 3.56 93.57 2.22 0.01 0.01 0.00 47 I H H 56.77 8.97 13.68 24.04 92.56 49.49 -67.05 -38.15 10.15 0.05 89.81 1.11 0.99 7.79 86.22 3.82 0.02 0.02 0.02 48 L H H 92.76 5.39 14.09 20.62 93.01 52.43 -68.88 -34.03 20.57 0.15 79.28 2.95 2.47 15.30 74.54 4.53 0.06 0.07 0.09 49 N H H 111.31 2.29 14.07 16.60 96.72 48.95 -82.39 -17.74 40.08 0.29 59.63 5.43 6.23 28.73 55.40 3.82 0.08 0.11 0.20 50 S C T 62.56 4.66 11.62 17.73 104.89 48.07 -99.24 0.10 70.58 0.73 28.69 16.43 20.40 34.00 24.66 3.72 0.03 0.25 0.52 51 H C C 148.47 2.51 12.79 16.47 98.55 -124.10 2.49 26.71 87.28 0.76 11.96 43.17 14.28 30.33 7.95 3.46 0.00 0.33 0.48 52 F C C 110.28 6.07 11.27 18.94 108.29 126.43 -91.08 98.99 79.92 1.16 18.92 52.84 13.63 13.29 13.08 5.88 0.00 0.49 0.80 53 T C C 82.67 4.66 14.11 19.82 100.20 -139.92 -72.68 -29.82 64.66 1.13 34.21 35.80 12.90 16.55 23.75 9.77 0.01 0.47 0.75 54 L H H 90.74 6.06 14.47 21.54 94.52 58.55 -67.63 -32.95 34.74 0.55 64.71 11.87 6.75 15.90 44.29 20.56 0.05 0.25 0.32 55 A H H 42.71 9.33 13.78 24.29 93.57 56.92 -67.95 -32.23 22.03 0.21 77.76 4.26 2.85 12.73 48.38 31.53 0.03 0.11 0.11 56 S H H 57.85 7.16 16.33 24.39 93.38 57.19 -72.36 -24.92 26.54 0.14 73.31 3.10 2.70 17.73 44.06 32.23 0.02 0.07 0.09 57 M H H 85.25 7.66 16.98 25.05 94.56 54.12 -76.44 -24.98 23.63 0.11 76.25 2.83 2.77 16.56 58.62 19.05 0.05 0.05 0.08 58 M H H 71.10 9.13 16.77 26.99 92.67 68.53 -62.82 -42.53 7.12 0.02 92.86 2.78 1.49 2.86 91.69 1.16 0.00 0.01 0.01 59 P H H 48.96 9.30 17.22 27.45 91.97 51.79 -64.31 -39.94 2.38 0.01 97.61 0.83 0.18 1.15 97.10 0.73 0.00 0.00 0.00 60 I H H 83.47 5.82 20.12 26.01 91.97 50.58 -64.76 -41.81 0.45 0.00 99.55 0.08 0.03 0.27 99.14 0.47 0.00 0.00 0.00 61 I H H 69.84 8.21 19.48 27.98 92.15 49.91 -64.57 -42.11 0.20 0.00 99.80 0.02 0.01 0.12 99.67 0.17 0.00 0.00 0.00 62 L H H 56.44 11.27 18.37 30.12 91.79 50.16 -64.40 -41.57 0.15 0.00 99.85 0.02 0.01 0.10 99.80 0.08 0.00 0.00 0.00 63 L H H 76.46 7.56 20.30 28.20 92.06 49.80 -64.58 -41.28 0.20 0.00 99.80 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 64 V H H 67.33 6.24 21.54 27.44 91.87 49.23 -64.65 -42.40 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 65 F H H 77.27 9.87 20.73 30.96 92.03 48.93 -64.77 -41.93 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 66 A H H 33.23 10.83 19.32 30.75 91.44 51.10 -63.20 -41.81 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 67 A H H 51.35 5.53 22.63 27.89 91.81 50.39 -64.30 -41.78 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 68 C H H 50.08 7.37 21.61 29.06 91.93 49.08 -64.72 -42.39 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 69 E H H 64.82 11.28 20.53 31.95 91.84 50.27 -64.04 -41.80 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 70 A H H 43.28 8.81 20.62 29.52 91.78 50.26 -63.60 -41.69 0.31 0.00 99.69 0.03 0.01 0.21 99.69 0.06 0.00 0.00 0.00 71 A H H 52.25 5.20 22.23 27.15 91.97 50.27 -64.38 -41.80 0.57 0.00 99.43 0.04 0.02 0.42 99.42 0.09 0.00 0.00 0.00 72 L H H 71.31 7.61 21.38 29.00 91.90 49.27 -65.22 -41.46 0.82 0.00 99.18 0.06 0.04 0.63 99.16 0.12 0.00 0.00 0.00 73 G H H 19.86 10.80 18.36 30.02 91.75 51.64 -63.08 -42.38 0.61 0.00 99.39 0.06 0.03 0.40 99.40 0.11 0.00 0.00 0.00 74 L H H 80.00 6.21 21.07 27.34 91.94 50.17 -64.34 -41.34 0.31 0.00 99.69 0.03 0.01 0.20 99.66 0.10 0.00 0.00 0.00 75 S H H 48.11 5.65 20.27 26.03 91.71 51.05 -64.20 -42.09 0.30 0.00 99.70 0.02 0.01 0.20 99.65 0.11 0.00 0.00 0.00 76 L H H 68.11 8.11 19.32 27.83 91.71 49.99 -64.29 -41.53 0.30 0.00 99.70 0.02 0.01 0.20 99.65 0.12 0.00 0.00 0.00 77 L H H 67.44 8.72 18.15 27.52 91.68 50.65 -63.99 -41.76 0.37 0.00 99.63 0.03 0.02 0.23 99.57 0.15 0.00 0.00 0.00 78 V H H 72.78 4.87 18.93 24.23 91.85 49.60 -64.20 -41.89 0.71 0.00 99.29 0.07 0.04 0.49 99.19 0.22 0.00 0.00 0.00 79 M H H 84.95 4.87 18.25 23.38 91.86 50.22 -64.75 -41.52 1.94 0.01 98.05 0.20 0.13 1.42 97.77 0.47 0.00 0.00 0.00 80 V H H 54.06 7.12 15.86 24.31 92.10 48.51 -65.04 -41.50 4.67 0.04 95.29 0.66 0.53 3.23 94.61 0.92 0.01 0.02 0.01 81 S H H 45.28 7.49 13.65 22.47 92.59 51.69 -65.63 -38.73 7.75 0.11 92.14 1.98 1.14 4.64 90.41 1.70 0.03 0.05 0.05 82 N H H 104.19 3.10 14.71 18.47 94.15 49.99 -71.92 -33.29 12.42 0.11 87.47 1.89 1.53 9.12 84.60 2.70 0.05 0.05 0.05 83 T H H 92.19 2.46 14.76 17.49 99.31 40.42 -85.12 -35.02 18.06 0.13 81.81 2.08 2.60 13.68 79.11 2.33 0.08 0.05 0.08 84 Y H H 144.04 3.44 13.21 17.52 103.74 27.12 -105.49 -6.71 33.18 0.51 66.31 6.17 9.76 18.82 62.84 1.79 0.11 0.16 0.34 85 G C C 33.65 5.98 13.26 20.71 119.33 -120.14 90.09 164.05 89.07 0.70 10.23 57.72 11.35 19.76 7.73 2.70 0.00 0.32 0.41 86 T C C 77.91 6.81 12.92 20.88 104.73 -73.11 -84.53 10.00 69.86 1.37 28.77 46.07 12.30 11.39 22.66 6.21 0.01 0.62 0.74 87 D C C 88.85 4.54 13.91 19.46 97.87 72.50 -75.43 -22.62 57.40 1.24 41.35 34.54 10.93 12.47 34.01 6.87 0.02 0.61 0.56 88 Y H H 116.04 5.45 13.60 20.38 95.78 64.66 -70.37 -34.68 39.20 1.33 59.47 21.63 8.12 11.09 49.15 8.76 0.03 0.71 0.51 89 V H H 67.73 6.93 12.09 20.54 93.75 55.04 -67.56 -38.55 27.49 1.11 71.40 14.19 5.36 9.10 58.62 11.65 0.04 0.66 0.38 90 Q H H 108.47 3.08 13.95 18.03 93.12 54.72 -66.60 -34.29 26.34 0.74 72.92 11.98 4.60 10.12 59.99 12.56 0.04 0.44 0.27 91 N H H 88.24 3.22 12.94 17.26 96.00 51.83 -76.79 -22.42 30.98 0.60 68.42 15.81 4.53 10.84 55.76 12.48 0.02 0.32 0.26 92 L H H 82.85 5.49 10.31 17.64 94.93 69.05 -67.66 -34.82 21.96 0.40 77.64 8.93 3.80 9.18 61.80 15.87 0.03 0.22 0.16 93 N H H 101.35 2.82 11.09 15.24 95.68 58.57 -71.00 -25.48 22.41 0.40 77.20 8.26 3.07 10.20 59.97 18.10 0.02 0.23 0.15 94 L H H 113.04 2.24 9.63 13.20 96.03 62.44 -73.74 -25.53 24.75 0.57 74.68 8.86 3.76 11.28 55.72 19.80 0.04 0.33 0.22 95 L H H 119.64 2.38 8.66 12.46 99.40 64.34 -79.40 -14.70 38.47 1.48 60.05 16.37 6.62 16.41 45.36 13.68 0.08 0.80 0.67 96 Q C C 139.16 1.61 8.47 11.39 104.36 71.84 -85.98 30.46 67.10 1.05 31.84 45.07 2.04 20.58 26.73 4.46 0.00 0.56 0.56 97 C C C 86.64 4.61 9.73 16.02 108.74 127.91 -88.33 97.19 99.97 0.02 0.01 99.90 0.04 0.04 0.01 0.00 0.00 0.01 0.00