# 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 118.42 4.51 10.84 16.87 111.19 71.12 -92.90 119.25 99.89 0.07 0.05 99.80 0.08 0.06 0.02 0.00 0.00 0.02 0.01 1 A C C 72.32 3.38 8.96 14.07 108.57 -122.88 -84.02 124.39 78.66 0.91 20.44 71.39 1.22 6.12 18.54 1.86 0.00 0.42 0.44 2 T C C 89.67 2.39 9.40 13.08 108.71 -141.55 -81.81 143.21 61.75 1.04 37.21 43.31 8.36 9.20 34.69 3.50 0.00 0.45 0.49 3 A H H 72.58 2.53 9.88 13.67 97.13 -99.67 -67.47 -36.83 33.93 0.53 65.55 20.25 6.57 8.45 58.45 5.80 0.01 0.25 0.22 4 T H H 85.01 2.40 10.68 14.17 95.55 54.08 -68.49 -36.07 23.71 0.39 75.90 13.95 3.90 6.99 67.70 7.10 0.01 0.20 0.15 5 E H H 115.84 2.25 11.52 14.66 93.67 54.46 -67.00 -36.78 17.06 0.36 82.58 9.07 2.91 5.92 73.27 8.47 0.01 0.21 0.13 6 Q H H 109.12 2.20 12.25 15.17 93.15 53.90 -66.54 -37.20 19.14 0.54 80.31 9.75 2.95 7.38 73.17 6.20 0.03 0.33 0.19 7 W H H 139.17 2.81 12.22 16.07 93.46 51.91 -67.90 -38.07 20.42 0.71 78.87 12.51 3.04 6.24 73.60 3.95 0.01 0.41 0.24 8 V H H 81.68 2.57 13.06 16.42 92.92 54.42 -65.43 -41.04 13.32 0.53 86.15 8.96 1.71 3.22 84.43 1.25 0.01 0.30 0.14 9 L H H 94.88 2.03 13.96 16.14 92.42 51.36 -65.01 -41.21 5.40 0.11 94.49 2.87 0.66 1.97 93.52 0.88 0.00 0.06 0.03 10 V H H 80.60 2.51 13.63 16.88 92.25 50.24 -64.88 -41.50 1.87 0.03 98.10 0.81 0.24 0.79 97.66 0.48 0.00 0.01 0.00 11 E H H 107.06 2.47 14.18 17.27 92.27 50.47 -65.16 -40.53 1.32 0.01 98.66 0.45 0.15 0.65 98.31 0.43 0.00 0.01 0.00 12 M H H 103.72 2.14 14.30 16.66 92.33 49.89 -64.71 -40.88 1.52 0.01 98.46 0.41 0.15 0.85 98.08 0.50 0.00 0.01 0.00 13 V H H 80.33 2.51 14.36 17.30 92.21 48.95 -65.25 -41.35 1.61 0.01 98.37 0.37 0.16 0.96 97.96 0.54 0.00 0.00 0.00 14 Q H H 97.58 2.70 14.40 17.81 92.15 50.18 -65.11 -40.09 2.65 0.01 97.34 0.52 0.25 1.73 96.23 1.25 0.01 0.01 0.00 15 A H H 54.12 2.94 13.34 17.40 92.15 51.63 -64.68 -39.45 4.55 0.02 95.43 0.65 0.36 3.24 92.50 3.22 0.01 0.01 0.01 16 L H H 93.48 3.12 13.41 17.54 92.69 50.70 -66.68 -37.83 6.72 0.03 93.25 0.80 0.55 4.91 86.58 7.12 0.01 0.01 0.01 17 Y H H 138.50 3.49 13.23 17.66 94.28 47.80 -75.47 -26.72 21.82 0.06 78.12 1.52 1.47 18.24 73.68 4.99 0.04 0.03 0.04 18 E C T 126.40 2.55 13.81 17.04 96.70 52.62 -84.90 -11.19 53.81 0.12 46.08 4.44 4.84 43.37 43.27 3.93 0.02 0.04 0.10 19 A C S 46.91 5.53 9.78 17.57 113.35 97.92 -77.26 133.79 91.32 0.20 8.48 40.39 46.83 3.07 8.69 0.78 0.00 0.04 0.21 20 P H H 92.60 2.65 12.56 16.17 96.69 -124.52 -61.98 -33.32 41.21 0.16 58.63 11.02 5.53 24.26 49.29 9.70 0.01 0.07 0.11 21 A H H 71.38 1.96 12.72 14.99 93.47 55.03 -65.60 -35.00 24.16 0.13 75.71 5.00 2.37 15.83 66.35 10.29 0.02 0.07 0.07 22 Y H H 117.70 3.47 12.56 17.35 93.28 55.53 -66.25 -39.42 9.04 0.08 90.88 2.46 1.19 4.92 80.20 11.14 0.01 0.05 0.03 23 H H H 92.36 5.19 12.11 19.00 92.49 52.17 -66.07 -38.89 6.81 0.07 93.12 2.30 0.84 3.56 86.82 6.41 0.01 0.04 0.03 24 L H H 98.68 2.18 14.37 16.84 92.47 50.95 -64.88 -40.84 2.21 0.02 97.76 0.63 0.27 1.26 96.08 1.75 0.00 0.01 0.01 25 I H H 105.51 1.47 15.39 16.05 92.26 49.58 -65.05 -41.97 1.37 0.01 98.62 0.34 0.13 0.81 97.88 0.83 0.00 0.01 0.00 26 L H H 83.43 3.33 14.52 18.83 92.35 48.96 -65.41 -41.45 0.74 0.00 99.26 0.17 0.06 0.42 98.96 0.38 0.00 0.00 0.00 27 E H H 91.41 3.96 14.47 19.68 91.97 50.67 -64.07 -41.04 0.37 0.00 99.63 0.07 0.02 0.22 99.59 0.11 0.00 0.00 0.00 28 G H H 37.15 2.11 15.57 17.72 91.64 50.70 -63.50 -41.36 0.38 0.00 99.62 0.04 0.02 0.24 99.62 0.07 0.00 0.00 0.00 29 I H H 94.70 1.96 15.58 17.26 91.99 49.92 -64.87 -41.62 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 30 L H H 86.67 2.88 14.77 18.40 91.81 50.13 -64.29 -41.68 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 I H H 97.25 1.98 15.17 17.08 91.70 49.90 -64.31 -41.54 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 L H H 96.50 1.58 15.15 16.19 91.75 49.99 -64.39 -41.71 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 W H H 139.98 2.11 14.56 16.88 91.91 49.73 -64.64 -41.72 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 34 I H H 91.64 2.39 14.44 17.29 91.84 49.51 -64.54 -42.16 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 35 I H H 98.70 1.65 14.94 16.14 91.65 49.57 -64.13 -41.73 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 36 R H H 131.97 1.83 14.40 16.28 91.92 49.80 -64.72 -40.96 0.35 0.00 99.65 0.03 0.02 0.26 99.58 0.12 0.00 0.00 0.00 37 L H H 90.04 2.54 13.66 16.93 92.17 49.66 -65.27 -40.93 1.40 0.00 98.60 0.10 0.07 1.14 98.35 0.34 0.00 0.00 0.00 38 L H H 100.44 1.69 14.19 15.70 92.55 49.46 -65.99 -40.40 5.66 0.02 94.32 0.41 0.37 4.68 93.82 0.69 0.01 0.01 0.01 39 F H H 124.64 1.74 14.01 15.61 93.66 47.99 -69.63 -37.09 18.68 0.21 81.11 3.16 2.59 13.15 79.36 1.48 0.06 0.09 0.11 40 S H H 56.61 3.53 12.30 17.25 95.05 54.79 -68.40 -37.69 28.57 0.57 70.86 11.70 5.33 12.66 67.16 2.58 0.04 0.26 0.26 41 K H H 124.60 2.16 13.79 16.35 93.73 54.70 -67.19 -37.63 28.80 0.48 70.72 12.67 5.45 11.91 63.95 5.53 0.04 0.24 0.22 42 T H H 76.03 2.36 13.50 16.39 93.55 53.21 -68.64 -37.57 29.46 0.43 70.11 13.64 4.78 11.98 62.83 6.32 0.03 0.21 0.20 43 Y H H 116.34 3.28 11.90 16.58 94.85 53.24 -69.49 -36.65 29.86 0.46 69.67 15.62 5.98 9.47 62.44 6.04 0.02 0.21 0.21 44 K H H 113.91 2.54 12.33 15.86 94.83 57.59 -66.22 -38.41 30.10 0.40 69.50 20.20 4.49 6.31 63.83 4.82 0.00 0.19 0.16 45 L H H 98.28 2.30 10.80 14.24 93.42 54.71 -66.11 -37.14 22.66 0.39 76.96 12.51 3.83 7.31 67.57 8.42 0.01 0.21 0.15 46 Q H H 127.09 1.41 10.65 12.57 94.00 53.19 -69.41 -31.13 26.16 0.36 73.49 12.85 4.24 9.79 64.30 8.46 0.02 0.18 0.16 47 E H H 133.19 1.88 9.49 12.48 95.63 55.89 -75.48 -23.86 37.81 0.48 61.72 19.05 6.13 13.66 54.45 6.23 0.02 0.21 0.25 48 R C C 167.94 1.76 8.84 11.84 99.97 61.99 -79.93 -12.37 62.57 0.38 37.05 41.66 3.17 16.83 35.64 2.32 0.00 0.15 0.23 49 S C C 83.08 2.30 11.04 14.57 104.58 66.38 -82.62 24.61 99.84 0.02 0.14 99.55 0.11 0.23 0.09 0.01 0.00 0.01 0.01