# 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 105.08 7.60 14.14 22.80 115.63 -157.01 -93.80 135.41 99.96 0.03 0.01 99.90 0.04 0.03 0.00 0.00 0.00 0.01 0.00 1 S C C 75.48 4.85 14.18 20.61 116.95 -138.89 -91.99 139.37 96.03 2.66 1.31 93.31 1.21 1.91 0.78 0.30 0.00 1.21 1.28 2 L C C 44.11 17.60 8.98 25.34 116.64 -125.43 -90.32 135.39 96.64 1.75 1.61 79.01 15.83 1.69 1.22 0.38 0.00 0.67 1.20 3 S C C 57.42 3.26 17.36 20.80 119.21 -122.92 -77.65 161.10 97.82 0.58 1.60 93.85 3.43 0.60 1.46 0.16 0.00 0.19 0.32 4 T H H 93.00 5.37 12.84 19.96 92.65 -109.05 -60.98 -37.41 4.47 0.02 95.52 1.52 1.12 1.64 95.37 0.34 0.00 0.00 0.01 5 E H H 133.97 1.33 17.59 17.85 92.25 52.95 -64.77 -40.29 1.79 0.00 98.21 0.37 0.24 0.96 98.13 0.28 0.00 0.00 0.00 6 A H H 28.73 9.60 15.36 26.72 91.98 49.11 -65.12 -40.89 0.80 0.00 99.19 0.23 0.09 0.40 99.00 0.28 0.00 0.00 0.00 7 T H H 25.64 17.40 14.55 31.79 91.63 51.34 -63.54 -42.35 0.37 0.00 99.63 0.09 0.03 0.17 99.61 0.10 0.00 0.00 0.00 8 A H H 49.41 5.74 20.10 26.52 91.62 51.35 -63.76 -40.64 0.30 0.00 99.70 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 9 K H H 116.85 2.45 23.28 24.65 91.85 49.85 -64.66 -41.30 0.40 0.00 99.60 0.04 0.02 0.24 99.63 0.06 0.00 0.00 0.00 10 I H H 13.98 17.71 17.53 35.77 92.13 49.77 -64.16 -43.69 0.51 0.00 99.49 0.06 0.04 0.31 99.50 0.09 0.00 0.00 0.00 11 V H H 23.66 18.35 16.64 34.73 91.72 48.80 -64.08 -41.01 0.51 0.00 99.49 0.06 0.04 0.32 99.36 0.22 0.00 0.00 0.00 12 S H H 70.84 3.06 20.77 23.79 92.04 52.14 -65.43 -37.19 1.91 0.00 98.09 0.14 0.09 1.56 96.73 1.47 0.00 0.00 0.00 13 E H H 116.30 3.96 20.90 25.10 93.63 49.32 -71.15 -34.48 5.72 0.00 94.27 0.20 0.26 5.30 92.90 1.32 0.01 0.00 0.00 14 F H H 47.78 16.72 15.41 31.72 101.41 31.14 -104.78 -9.62 16.49 0.05 83.46 1.10 2.16 13.26 82.30 1.11 0.03 0.01 0.04 15 G C C 18.49 15.04 13.78 28.82 117.60 107.31 -86.05 146.63 94.29 0.50 5.21 54.49 13.09 27.10 3.15 1.57 0.00 0.17 0.43 16 R C C 146.58 6.16 16.37 23.67 100.92 -149.80 -86.90 -18.26 94.79 1.65 3.56 50.51 36.82 7.30 1.29 1.95 0.00 0.50 1.62 17 D C C 77.85 2.96 18.62 21.43 133.90 0.36 -134.58 166.89 95.30 2.68 2.02 57.90 32.85 3.47 0.51 1.49 0.00 0.65 3.13 18 A C T 83.01 5.30 12.71 19.72 91.72 -94.37 -62.35 -25.28 98.57 0.15 1.29 0.78 6.74 91.10 0.08 1.16 0.00 0.09 0.07 19 N C T 128.38 1.29 16.04 16.87 95.51 52.33 -91.04 3.65 99.18 0.13 0.69 1.86 5.75 91.51 0.05 0.71 0.00 0.08 0.05 20 D C C 37.68 15.02 10.07 25.36 107.25 117.71 -79.53 107.22 98.00 1.76 0.24 90.31 6.84 0.49 0.07 0.15 0.00 0.49 1.65 21 T C C 86.20 6.14 18.08 25.16 98.89 170.69 -95.73 -1.49 99.04 0.56 0.40 51.22 9.33 38.50 0.10 0.26 0.00 0.26 0.33 22 G C T 34.32 11.41 17.71 28.99 97.04 60.66 -79.93 0.98 99.08 0.52 0.40 20.67 34.66 43.82 0.09 0.29 0.00 0.24 0.23 23 S C C 36.80 9.15 19.95 30.25 117.37 123.84 -76.57 143.88 99.03 0.52 0.45 83.79 14.82 0.21 0.41 0.06 0.00 0.09 0.62 24 T H H 44.30 16.56 18.21 34.42 92.47 -128.10 -61.13 -36.57 1.38 0.00 98.62 0.16 0.23 0.79 98.69 0.12 0.00 0.00 0.00 25 E H H 86.71 11.39 22.75 33.82 91.77 55.64 -63.46 -40.78 0.46 0.00 99.54 0.04 0.03 0.31 99.52 0.10 0.00 0.00 0.00 26 V H H 24.77 14.82 22.00 37.02 92.03 48.76 -65.70 -42.30 0.08 0.00 99.92 0.01 0.01 0.05 99.89 0.05 0.00 0.00 0.00 27 Q H H 35.69 17.65 23.66 40.25 91.68 50.45 -63.80 -43.13 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 28 V H H 14.61 19.77 23.51 42.62 91.41 49.96 -63.48 -43.38 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 29 A H H 26.29 12.18 25.85 38.51 91.82 50.48 -64.16 -42.13 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 L H H 39.39 14.19 25.78 39.75 91.69 49.58 -64.32 -42.53 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 31 L H H 14.30 21.07 23.53 43.75 91.68 49.58 -64.29 -42.55 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 T H H 32.38 15.02 24.07 38.62 91.93 50.74 -64.07 -41.84 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 A H H 31.45 8.19 24.49 33.64 91.54 50.61 -64.11 -42.14 0.08 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 34 Q H H 48.09 13.49 23.31 36.49 91.82 49.90 -64.67 -41.72 0.16 0.00 99.84 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 35 I H H 13.10 20.78 18.92 39.50 91.84 50.58 -63.52 -42.50 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 36 N H H 81.56 6.01 23.60 29.91 91.63 51.10 -63.91 -40.20 0.63 0.00 99.37 0.02 0.02 0.51 99.33 0.12 0.00 0.00 0.00 37 H H H 97.19 4.86 23.01 27.91 91.98 49.68 -65.69 -40.58 3.08 0.00 96.92 0.08 0.08 2.76 96.78 0.30 0.00 0.00 0.00 38 L H H 17.35 18.45 16.79 35.30 92.24 50.30 -66.10 -39.94 2.96 0.00 97.03 0.17 0.16 2.36 96.90 0.41 0.00 0.00 0.00 39 Q H H 69.33 12.00 18.45 30.51 91.78 54.46 -62.59 -41.35 1.30 0.00 98.70 0.14 0.10 0.88 98.42 0.46 0.00 0.00 0.00 40 G H H 37.14 2.11 21.31 22.03 91.64 50.81 -63.73 -41.57 2.16 0.00 97.84 0.20 0.13 1.64 97.17 0.85 0.00 0.00 0.00 41 H H H 57.73 8.25 17.06 26.87 92.24 49.54 -65.82 -40.44 2.12 0.00 97.88 0.22 0.18 1.60 96.78 1.22 0.00 0.00 0.00 42 F H H 38.61 15.41 11.79 27.54 91.99 52.05 -65.55 -38.37 2.24 0.00 97.75 0.27 0.23 1.62 96.20 1.67 0.00 0.00 0.00 43 A H H 76.70 2.17 15.80 18.30 91.86 52.53 -66.74 -33.73 7.59 0.00 92.40 0.43 0.48 6.49 91.06 1.53 0.01 0.00 0.00 44 E H H 139.80 1.23 15.50 15.85 94.58 45.75 -77.09 -29.35 17.91 0.02 82.08 0.67 1.63 15.45 81.10 1.12 0.02 0.00 0.01 45 H C C 81.08 8.12 9.95 19.52 109.13 33.98 -122.66 76.37 80.12 0.29 19.59 38.99 15.66 24.53 18.71 1.74 0.00 0.07 0.30 46 K C T 143.15 3.58 12.12 17.80 97.09 -154.01 -64.89 -23.45 95.45 0.17 4.38 13.29 9.35 73.00 1.83 2.31 0.00 0.07 0.13 47 K C T 161.57 1.42 14.25 15.70 95.79 47.50 -83.85 9.69 95.88 0.13 3.98 8.62 15.88 71.53 1.37 2.45 0.00 0.06 0.10 48 D C C 52.20 9.89 9.64 20.97 106.80 109.64 -96.03 103.01 94.35 0.28 5.36 83.45 8.19 3.11 3.01 1.84 0.00 0.08 0.31 49 H H H 127.40 3.31 14.37 19.25 94.76 -174.90 -68.60 -30.90 35.20 0.19 64.61 14.21 6.38 15.35 56.14 7.72 0.01 0.07 0.13 50 H H H 118.01 2.79 17.02 19.90 92.72 57.57 -66.75 -37.50 24.06 0.10 75.84 5.69 3.33 14.75 68.79 7.32 0.02 0.04 0.06 51 S H H 24.25 12.37 13.63 27.19 92.24 53.35 -66.09 -39.02 13.53 0.09 86.38 5.34 1.90 6.06 79.94 6.67 0.01 0.04 0.04 52 R H H 105.27 9.54 17.37 27.34 92.05 53.06 -63.93 -40.52 5.44 0.04 94.52 2.39 0.84 2.24 92.41 2.09 0.00 0.02 0.02 53 R H H 134.09 2.09 22.02 22.77 91.86 50.74 -64.52 -41.67 1.49 0.00 98.51 0.39 0.18 0.74 98.21 0.47 0.00 0.00 0.00 54 G H H 19.20 8.23 18.68 28.51 91.84 50.96 -63.55 -42.09 1.08 0.00 98.91 0.24 0.10 0.59 98.74 0.33 0.00 0.00 0.00 55 L H H 26.12 17.35 16.26 33.65 92.08 50.39 -64.00 -41.62 0.50 0.00 99.50 0.09 0.04 0.27 99.41 0.19 0.00 0.00 0.00 56 L H H 86.95 5.09 21.57 26.95 91.55 50.89 -63.80 -41.08 0.28 0.00 99.72 0.04 0.02 0.15 99.70 0.09 0.00 0.00 0.00 57 R H H 135.63 2.44 22.79 24.19 91.76 49.57 -64.70 -41.22 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.07 0.00 0.00 0.00 58 M H H 30.84 15.20 18.20 33.79 91.77 49.56 -64.76 -42.20 0.34 0.00 99.66 0.04 0.02 0.21 99.67 0.07 0.00 0.00 0.00 59 V H H 32.65 14.27 18.80 33.45 91.55 50.07 -63.70 -42.28 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 60 S H H 54.62 2.57 22.97 24.36 91.34 50.27 -63.49 -41.78 0.34 0.00 99.66 0.04 0.01 0.21 99.68 0.05 0.00 0.00 0.00 61 Q H H 71.73 6.92 21.57 29.08 91.67 49.58 -64.74 -41.46 0.35 0.00 99.65 0.03 0.02 0.22 99.68 0.05 0.00 0.00 0.00 62 R H H 33.56 19.48 16.95 35.86 91.69 51.16 -63.66 -41.69 0.19 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 63 R H H 115.58 7.61 21.51 29.68 91.39 51.62 -63.04 -41.08 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 64 K H H 118.53 2.11 24.33 24.94 91.56 50.05 -64.30 -41.81 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 65 L H H 22.21 15.60 19.78 35.82 91.69 49.57 -64.37 -42.55 0.19 0.00 99.81 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 66 L H H 16.43 18.80 17.81 36.74 91.50 50.84 -62.93 -41.84 0.27 0.00 99.73 0.02 0.01 0.17 99.67 0.12 0.00 0.00 0.00 67 D H H 75.75 3.07 23.49 25.73 91.46 50.86 -63.62 -41.14 0.86 0.00 99.14 0.06 0.04 0.66 98.82 0.42 0.00 0.00 0.00 68 Y H H 78.96 5.87 20.56 27.50 91.69 50.13 -64.05 -41.79 1.81 0.00 98.19 0.10 0.10 1.48 97.28 1.02 0.00 0.00 0.00 69 L H H 10.57 19.01 13.81 33.45 91.87 50.17 -65.00 -40.34 3.79 0.01 96.20 0.36 0.31 2.84 94.45 2.03 0.01 0.00 0.00 70 K H H 95.33 10.12 15.73 26.49 91.53 54.38 -64.28 -34.93 17.01 0.03 82.96 1.17 0.95 14.61 80.59 2.62 0.01 0.01 0.02 71 R H H 171.91 1.31 17.59 17.96 92.62 52.36 -71.46 -26.71 33.74 0.06 66.20 1.81 2.54 28.71 64.71 2.15 0.02 0.02 0.04 72 K C H 118.52 4.56 14.83 20.42 101.18 40.02 -91.55 -28.18 58.28 0.26 41.46 6.03 22.32 27.92 41.92 1.50 0.03 0.06 0.23 73 D C C 68.98 7.02 14.54 22.88 113.74 5.59 -135.64 90.56 96.48 0.31 3.21 89.90 2.82 3.57 3.00 0.36 0.00 0.09 0.25 74 V H H 73.21 10.14 12.06 23.46 93.95 -167.40 -63.19 -36.10 2.96 0.01 97.04 0.91 0.37 1.36 96.88 0.47 0.00 0.00 0.00 75 A H H 76.47 1.39 19.25 19.12 91.68 53.73 -63.90 -41.19 1.47 0.00 98.53 0.13 0.11 1.09 98.15 0.53 0.00 0.00 0.00 76 R H H 95.26 6.92 18.31 26.20 91.98 48.71 -65.92 -40.45 0.61 0.00 99.39 0.08 0.04 0.39 98.99 0.50 0.00 0.00 0.00 77 Y H H 14.18 21.20 13.44 34.64 91.77 50.96 -63.47 -43.12 0.21 0.00 99.79 0.03 0.01 0.10 99.75 0.11 0.00 0.00 0.00 78 T H H 60.46 6.67 20.38 27.80 91.41 50.91 -63.19 -41.68 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 79 Q H H 94.38 2.19 22.72 23.27 91.69 50.14 -64.00 -42.33 0.16 0.00 99.84 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 80 L H H 15.26 16.17 17.46 34.55 91.90 49.53 -64.16 -43.28 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.04 0.00 0.00 0.00 81 I H H 17.23 18.51 15.10 33.89 91.90 49.83 -63.42 -42.84 0.33 0.00 99.67 0.03 0.02 0.20 99.64 0.10 0.00 0.00 0.00 82 E H H 130.56 1.94 19.29 20.89 91.71 49.47 -64.20 -40.99 0.91 0.00 99.09 0.07 0.04 0.68 98.85 0.35 0.00 0.00 0.00 83 R H H 142.91 3.29 17.78 21.78 91.58 50.99 -65.86 -34.68 4.50 0.00 95.50 0.13 0.16 4.18 95.06 0.46 0.00 0.00 0.00 84 L H H 31.77 16.97 12.45 29.52 93.71 47.91 -86.57 -7.54 43.45 0.03 56.52 0.63 1.59 40.52 56.22 0.99 0.01 0.01 0.03 85 G C T 49.78 2.67 20.54 22.92 96.63 -115.18 75.57 20.56 97.91 0.07 2.02 7.04 3.53 87.55 1.49 0.34 0.00 0.03 0.03 86 L C C 36.76 18.06 9.11 26.07 110.46 142.51 -89.42 114.25 95.00 0.88 4.11 79.37 8.07 7.82 2.03 1.75 0.00 0.43 0.53 87 R C C 148.56 3.97 14.77 20.30 116.57 -169.97 -99.81 139.16 94.89 1.94 3.17 88.05 1.85 5.66 1.43 1.04 0.00 0.93 1.04 88 R C C 152.95 5.75 14.15 21.65 109.79 -113.61 -77.53 128.43 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00