# 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 I C C 86.87 8.53 12.35 21.70 108.84 -161.22 -89.00 113.13 99.79 0.04 0.17 99.71 0.07 0.05 0.15 0.00 0.00 0.01 0.01 1 D C C 92.07 3.54 12.80 17.26 102.41 -123.38 -77.17 -20.77 53.07 0.17 46.76 49.04 0.63 3.14 46.25 0.81 0.00 0.06 0.08 2 T H H 92.89 2.74 11.78 15.56 95.13 48.92 -67.37 -36.03 13.74 0.06 86.20 6.03 1.71 5.81 84.67 1.73 0.00 0.02 0.03 3 A H H 66.80 1.98 13.11 15.41 92.73 52.38 -65.13 -40.20 6.45 0.03 93.51 2.34 0.84 3.18 91.49 2.11 0.00 0.02 0.01 4 A H H 52.21 4.30 12.81 18.65 92.42 51.20 -65.04 -40.08 3.04 0.02 96.94 1.27 0.42 1.33 95.06 1.90 0.00 0.01 0.01 5 K H H 113.00 4.59 14.55 20.36 92.12 51.68 -64.58 -40.61 2.78 0.03 97.19 0.97 0.34 1.43 96.09 1.13 0.00 0.02 0.01 6 F H H 126.37 2.30 16.67 19.00 92.44 49.69 -64.88 -41.53 2.74 0.03 97.22 0.82 0.33 1.54 96.43 0.84 0.01 0.02 0.01 7 I H H 102.44 2.29 18.32 20.20 92.17 48.76 -64.83 -41.89 2.30 0.02 97.68 0.64 0.27 1.26 97.25 0.55 0.01 0.01 0.01 8 G H H 28.69 6.84 16.30 24.39 92.22 50.28 -64.37 -41.48 3.07 0.02 96.91 0.65 0.29 1.90 96.43 0.71 0.01 0.01 0.01 9 A H H 52.94 5.37 17.91 24.14 91.96 50.83 -64.16 -40.68 3.58 0.02 96.39 0.65 0.36 2.39 95.36 1.21 0.01 0.01 0.01 10 G H H 36.56 3.51 19.35 23.04 91.93 51.21 -63.65 -42.06 5.65 0.03 94.32 0.99 0.57 3.91 92.62 1.86 0.02 0.01 0.01 11 A H H 55.33 4.96 19.20 24.63 92.07 50.21 -65.05 -40.11 8.50 0.08 91.43 1.89 1.02 5.63 88.16 3.20 0.03 0.04 0.03 12 A H H 47.64 8.35 17.44 26.61 92.03 52.13 -65.02 -40.00 13.19 0.23 86.58 3.71 1.85 8.08 81.39 4.69 0.06 0.14 0.09 13 T H H 76.83 4.29 19.98 24.54 92.47 50.31 -66.04 -39.30 20.17 0.60 79.23 6.69 2.96 11.56 73.00 5.10 0.09 0.37 0.23 14 V H H 86.44 3.21 20.51 23.58 92.52 50.66 -65.98 -40.67 20.95 1.15 77.90 6.89 4.14 11.62 69.95 6.04 0.23 0.66 0.46 15 G H H 29.55 7.73 17.20 25.91 92.76 51.47 -65.00 -41.13 27.54 1.04 71.42 9.28 4.66 15.21 62.66 6.97 0.19 0.60 0.43 16 V H H 74.15 6.77 18.15 25.58 92.55 50.17 -66.53 -40.40 28.77 1.54 69.69 8.60 5.63 16.56 60.15 7.23 0.31 0.87 0.66 17 A H H 65.03 3.23 19.79 22.92 92.51 50.22 -65.83 -40.25 27.60 1.07 71.33 7.12 5.90 16.54 62.99 6.09 0.26 0.56 0.53 18 G H H 36.32 4.57 18.60 23.72 93.36 50.23 -65.86 -40.02 32.88 0.63 66.49 9.74 6.58 18.35 58.50 6.06 0.12 0.29 0.36 19 S H H 51.16 7.00 17.38 25.21 92.87 50.21 -66.26 -39.27 32.36 0.49 67.15 8.27 5.98 19.66 59.87 5.59 0.12 0.22 0.30 20 G H H 35.68 5.82 17.85 24.51 93.02 51.44 -65.09 -40.53 27.77 0.30 71.94 7.74 4.78 16.55 66.22 4.34 0.06 0.12 0.18 21 A H H 63.52 3.04 19.37 22.22 92.48 50.55 -65.56 -39.74 17.16 0.13 82.70 3.58 2.80 11.03 79.63 2.78 0.05 0.05 0.08 22 G H H 32.93 4.82 18.34 23.77 92.68 50.49 -64.76 -41.25 12.93 0.08 86.99 3.38 1.75 7.77 85.31 1.70 0.02 0.03 0.04 23 I H H 77.13 6.41 17.85 25.04 92.10 49.95 -64.99 -41.39 2.91 0.01 97.07 0.81 0.36 1.47 96.79 0.55 0.00 0.00 0.00 24 G H H 32.96 5.46 17.34 23.94 92.08 51.22 -64.06 -41.07 1.48 0.00 98.51 0.38 0.14 0.76 98.33 0.37 0.00 0.00 0.00 25 T H H 82.44 2.69 19.27 21.67 92.23 49.53 -65.34 -40.91 1.21 0.00 98.79 0.22 0.10 0.74 98.60 0.31 0.00 0.00 0.00 26 V H H 75.45 4.40 18.46 23.16 92.31 49.32 -64.87 -42.22 1.01 0.00 98.99 0.13 0.07 0.67 98.93 0.19 0.00 0.00 0.00 27 F H H 97.45 5.79 17.68 24.39 91.88 48.97 -64.44 -41.38 0.85 0.00 99.15 0.11 0.06 0.52 99.17 0.14 0.00 0.00 0.00 28 G H H 32.23 5.01 16.92 22.98 91.47 51.19 -63.58 -40.89 0.88 0.00 99.12 0.08 0.04 0.59 99.10 0.19 0.00 0.00 0.00 29 S H H 64.09 2.73 18.65 21.14 92.02 50.32 -65.61 -39.95 1.52 0.00 98.47 0.08 0.06 1.21 98.36 0.29 0.00 0.00 0.00 30 M H H 87.17 5.68 17.12 23.65 92.21 50.36 -65.66 -40.83 2.31 0.00 97.68 0.15 0.11 1.88 97.48 0.37 0.00 0.00 0.00 31 I H H 78.16 5.83 16.51 23.45 92.21 49.69 -64.91 -41.68 2.66 0.02 97.33 0.32 0.23 1.97 96.93 0.53 0.01 0.01 0.00 32 I H H 94.17 2.41 17.97 19.81 91.91 49.40 -64.39 -41.39 2.41 0.02 97.57 0.33 0.20 1.72 96.31 1.42 0.01 0.01 0.01 33 G H H 29.58 3.92 15.36 20.64 91.88 51.09 -64.03 -40.23 3.14 0.01 96.85 0.31 0.21 2.39 95.00 2.08 0.01 0.00 0.00 34 Y H H 92.71 7.03 12.69 21.46 92.47 50.81 -67.81 -35.86 4.04 0.01 95.96 0.30 0.28 3.27 93.72 2.43 0.01 0.00 0.00 35 A H H 68.05 4.04 13.31 18.48 92.10 55.68 -67.51 -29.73 11.37 0.01 88.62 0.46 0.57 10.25 87.02 1.67 0.01 0.00 0.01 36 R H H 176.89 0.97 14.46 14.42 95.47 46.89 -81.35 -23.22 25.50 0.03 74.47 0.70 2.35 22.10 73.80 0.98 0.03 0.01 0.03 37 N C C 74.42 4.70 10.87 17.62 113.28 34.17 -130.53 94.76 99.78 0.09 0.14 85.93 13.65 0.19 0.10 0.03 0.00 0.02 0.08 38 P H G 93.77 3.93 10.57 16.81 93.05 -168.79 -62.43 -27.99 24.60 0.05 75.36 2.10 1.48 19.45 14.44 62.48 0.00 0.02 0.02 39 S H G 85.88 1.08 14.20 14.60 91.29 62.89 -70.44 -22.75 22.29 0.05 77.66 1.54 1.35 18.06 17.22 61.77 0.00 0.03 0.03 40 L H G 58.33 7.47 10.98 20.44 93.86 60.52 -74.75 -23.59 11.31 0.07 88.62 4.06 1.16 5.18 34.03 55.51 0.00 0.04 0.02 41 K H H 98.39 8.75 12.69 22.74 92.40 74.51 -60.33 -41.92 2.75 0.01 97.25 1.07 0.28 1.19 92.88 4.56 0.00 0.00 0.00 42 Q H H 122.61 1.40 17.46 17.77 91.52 50.51 -64.85 -39.56 1.27 0.00 98.73 0.25 0.10 0.75 95.44 3.47 0.00 0.00 0.00 43 Q H H 104.44 2.30 17.54 19.55 92.07 50.13 -65.69 -40.19 1.00 0.00 98.99 0.19 0.07 0.58 96.20 2.95 0.00 0.00 0.00 44 L H H 45.08 10.81 13.60 25.84 92.02 50.30 -64.68 -41.61 0.76 0.00 99.24 0.15 0.06 0.42 98.62 0.74 0.00 0.00 0.00 45 F H H 99.46 6.13 17.10 24.28 91.92 50.13 -64.40 -40.94 0.70 0.00 99.30 0.17 0.07 0.36 99.19 0.21 0.00 0.00 0.00 46 S H H 60.82 2.14 19.26 20.36 91.82 51.13 -64.32 -41.76 0.91 0.00 99.08 0.18 0.07 0.55 99.04 0.16 0.00 0.00 0.00 47 Y H H 116.90 4.27 18.80 23.47 92.24 49.06 -65.96 -40.54 0.66 0.00 99.34 0.11 0.05 0.42 99.30 0.13 0.00 0.00 0.00 48 A H H 26.96 12.37 14.64 28.10 92.09 51.74 -64.09 -41.82 0.56 0.00 99.44 0.10 0.03 0.32 99.44 0.09 0.00 0.00 0.00 49 I H H 89.84 4.34 19.44 24.22 91.82 49.13 -64.51 -41.74 0.39 0.00 99.61 0.05 0.02 0.25 99.61 0.08 0.00 0.00 0.00 50 L H H 97.91 1.91 21.28 21.61 91.81 49.08 -64.38 -42.16 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 51 G H H 21.29 8.50 17.04 27.25 91.82 50.09 -64.38 -41.48 0.52 0.00 99.48 0.06 0.02 0.34 99.46 0.12 0.00 0.00 0.00 52 F H H 73.37 11.19 17.36 29.11 91.99 50.07 -64.97 -40.85 0.64 0.00 99.36 0.06 0.03 0.44 99.31 0.15 0.00 0.00 0.00 53 A H H 56.41 3.21 20.48 23.49 91.44 50.93 -63.58 -42.01 0.77 0.00 99.23 0.10 0.05 0.49 99.23 0.13 0.00 0.00 0.00 54 L H H 93.40 2.57 21.56 23.22 91.63 48.82 -64.88 -41.51 0.93 0.00 99.07 0.17 0.07 0.55 99.04 0.16 0.00 0.00 0.00 55 S H H 26.07 12.13 16.29 29.60 91.97 50.44 -64.29 -41.26 0.92 0.00 99.08 0.18 0.06 0.51 99.09 0.16 0.00 0.00 0.00 56 E H H 87.78 8.12 19.00 27.72 91.80 50.82 -63.95 -40.80 1.05 0.00 98.94 0.14 0.06 0.65 99.01 0.14 0.00 0.00 0.00 57 A H H 59.90 2.08 21.40 21.98 91.58 50.49 -63.84 -42.05 0.91 0.00 99.08 0.13 0.06 0.54 99.15 0.12 0.00 0.00 0.00 58 M H H 84.42 4.97 19.99 25.51 92.00 49.89 -65.18 -41.30 0.40 0.00 99.60 0.06 0.02 0.22 99.62 0.07 0.00 0.00 0.00 59 G H H 14.00 13.42 14.71 29.31 91.58 51.79 -63.26 -41.79 0.32 0.00 99.68 0.05 0.01 0.18 99.70 0.06 0.00 0.00 0.00 60 L H H 89.25 3.48 19.96 23.51 91.62 50.44 -64.12 -41.47 0.16 0.00 99.84 0.02 0.00 0.10 99.84 0.04 0.00 0.00 0.00 61 F H H 120.43 1.90 20.48 20.97 91.79 50.09 -64.71 -41.92 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 62 C H H 39.35 8.67 15.88 26.21 91.92 50.65 -64.42 -41.71 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 63 L H H 72.03 7.41 16.64 25.14 91.93 50.27 -64.38 -41.43 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 64 M H H 105.93 1.85 18.56 19.38 91.63 50.07 -64.23 -41.66 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 V H H 74.38 3.08 16.76 20.23 91.76 49.46 -65.05 -41.37 0.15 0.00 99.85 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 66 A H H 34.03 7.98 12.62 22.61 91.64 51.20 -63.76 -40.70 0.42 0.00 99.58 0.02 0.01 0.34 99.30 0.32 0.00 0.00 0.00 67 F H H 116.11 2.94 14.01 17.90 91.85 50.28 -64.84 -39.86 0.78 0.00 99.22 0.04 0.02 0.63 97.63 1.68 0.00 0.00 0.00 68 L H H 112.02 1.45 13.22 14.54 92.13 51.19 -66.35 -37.82 1.95 0.00 98.04 0.10 0.06 1.59 94.33 3.92 0.00 0.00 0.00 69 I H H 112.57 2.51 11.32 15.04 93.35 49.20 -70.94 -32.26 12.89 0.01 87.09 0.55 0.42 11.58 84.10 3.34 0.00 0.00 0.01 70 L H H 108.91 3.21 9.89 14.63 96.31 47.60 -82.28 -19.36 39.65 0.12 60.23 9.67 0.73 26.72 60.81 1.96 0.00 0.04 0.09 71 F C C 136.74 3.90 11.58 16.81 102.45 68.78 -82.15 41.15 99.95 0.03 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.01 0.00