# 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 S C C 65.19 3.92 11.97 17.06 112.87 -158.98 -85.13 143.75 99.77 0.09 0.14 99.71 0.08 0.08 0.09 0.00 0.00 0.03 0.02 1 L H H 112.45 2.51 9.43 13.08 97.42 55.86 -72.25 -31.98 45.46 1.68 52.85 36.97 2.13 7.00 49.34 2.96 0.00 0.78 0.82 2 Y H H 154.65 1.98 8.73 11.84 95.92 57.60 -70.34 -33.34 30.57 0.99 68.44 16.00 5.90 10.55 61.62 4.96 0.04 0.50 0.43 3 K H H 136.00 1.88 9.47 12.41 95.69 54.81 -72.12 -29.54 21.87 0.57 77.55 9.80 4.24 9.43 69.05 6.86 0.06 0.31 0.24 4 T H H 85.52 1.88 9.80 12.62 95.86 54.89 -70.66 -36.88 17.13 0.59 82.28 5.18 3.49 9.64 73.15 7.72 0.22 0.33 0.26 5 F H H 136.11 1.80 10.30 12.87 95.55 49.25 -71.53 -36.90 21.39 1.05 77.56 4.69 4.14 14.01 68.47 7.14 0.49 0.61 0.46 6 F H H 130.27 2.78 9.73 13.76 98.37 46.28 -80.54 -22.79 32.28 1.61 66.12 8.91 6.50 18.83 57.10 6.77 0.30 0.91 0.68 7 K C H 134.78 2.36 10.90 14.42 98.11 69.31 -76.30 -23.95 49.32 2.16 48.51 16.04 11.55 23.11 41.69 5.45 0.14 1.17 0.87 8 R C H 146.37 2.67 10.98 14.86 107.95 52.08 -93.96 84.59 59.86 2.21 37.93 28.67 12.67 19.22 32.88 4.49 0.03 1.05 0.99 9 N H H 90.21 4.25 10.59 16.42 101.91 125.28 -75.01 -26.81 33.53 0.72 65.75 21.36 7.10 5.94 62.89 2.10 0.01 0.29 0.32 10 A H H 73.55 2.24 12.43 15.29 94.83 61.29 -66.63 -35.19 10.68 0.15 89.17 3.83 1.75 5.15 87.08 2.03 0.01 0.08 0.06 11 V H H 87.13 2.39 13.25 16.16 93.30 51.86 -66.41 -40.02 5.69 0.13 94.18 2.28 0.75 2.60 92.70 1.55 0.01 0.07 0.04 12 F H H 104.76 4.00 12.70 18.19 92.71 50.98 -65.73 -40.47 2.35 0.05 97.61 0.96 0.27 1.01 96.83 0.89 0.00 0.02 0.01 13 V H H 83.13 2.94 14.06 17.78 92.08 50.82 -64.83 -41.23 1.04 0.01 98.95 0.35 0.09 0.47 98.78 0.30 0.00 0.00 0.00 14 G H H 39.15 2.09 14.87 17.07 92.09 50.92 -64.37 -41.07 0.89 0.00 99.11 0.19 0.06 0.50 99.01 0.24 0.00 0.00 0.00 15 T H H 75.60 2.27 14.99 17.45 92.47 49.13 -65.69 -41.18 0.90 0.00 99.09 0.13 0.06 0.60 99.02 0.19 0.00 0.00 0.00 16 I H H 90.55 3.28 14.59 18.72 92.21 49.22 -64.83 -41.99 0.94 0.01 99.05 0.10 0.06 0.66 99.02 0.14 0.00 0.00 0.00 17 F H H 117.66 2.50 15.56 18.34 91.95 48.86 -65.08 -41.74 0.93 0.00 99.06 0.11 0.07 0.66 99.04 0.12 0.00 0.00 0.00 18 A H H 60.76 1.83 16.17 17.47 91.66 50.26 -63.97 -41.89 0.49 0.00 99.51 0.06 0.03 0.31 99.52 0.09 0.00 0.00 0.00 19 G H H 35.30 2.42 15.60 18.31 91.96 50.28 -64.08 -41.20 0.41 0.00 99.59 0.04 0.02 0.27 99.60 0.07 0.00 0.00 0.00 20 A H H 50.19 3.50 14.37 19.05 91.86 50.70 -64.10 -41.47 0.27 0.00 99.73 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 21 F H H 117.34 2.37 15.61 18.09 92.01 50.29 -64.68 -41.38 0.27 0.00 99.73 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 22 V H H 91.70 1.40 16.20 16.47 91.81 49.83 -64.20 -41.92 0.37 0.00 99.63 0.03 0.01 0.26 99.65 0.05 0.00 0.00 0.00 23 F H H 119.85 1.90 15.48 17.10 92.14 49.29 -65.29 -40.94 0.42 0.00 99.58 0.03 0.02 0.29 99.59 0.07 0.00 0.00 0.00 24 Q H H 90.45 3.78 14.22 19.12 92.13 51.05 -64.48 -40.54 0.48 0.00 99.52 0.04 0.02 0.34 99.52 0.08 0.00 0.00 0.00 25 T H H 75.28 2.45 15.40 18.07 91.97 50.00 -64.80 -41.14 0.63 0.00 99.37 0.05 0.03 0.47 99.35 0.10 0.00 0.00 0.00 26 V H H 87.02 1.53 16.24 16.80 91.82 49.90 -64.46 -41.79 0.92 0.00 99.08 0.10 0.06 0.63 99.08 0.13 0.00 0.00 0.00 27 F H H 114.85 2.22 15.55 17.77 92.28 48.78 -65.13 -41.39 0.72 0.00 99.28 0.11 0.06 0.44 99.26 0.12 0.00 0.00 0.00 28 D H H 72.37 3.93 14.30 19.49 92.12 50.59 -64.53 -40.79 0.80 0.00 99.20 0.12 0.05 0.50 99.21 0.12 0.00 0.00 0.00 29 T H H 79.49 2.11 16.03 17.93 92.07 49.76 -65.16 -40.88 0.99 0.00 99.01 0.09 0.06 0.73 98.98 0.15 0.00 0.00 0.00 30 A H H 61.57 1.75 16.55 17.50 92.10 49.78 -64.73 -41.28 1.21 0.00 98.79 0.11 0.08 0.86 98.78 0.17 0.00 0.00 0.00 31 I H H 84.49 2.94 15.46 19.03 92.13 49.15 -64.99 -41.52 1.54 0.00 98.46 0.18 0.12 1.05 98.45 0.20 0.00 0.00 0.00 32 T H H 65.28 3.94 14.63 19.88 91.98 50.01 -64.71 -40.91 1.68 0.00 98.31 0.23 0.14 1.11 98.28 0.24 0.00 0.00 0.00 33 S H H 59.39 2.13 15.62 17.75 91.78 50.99 -63.94 -41.28 1.97 0.00 98.03 0.22 0.15 1.40 97.89 0.33 0.00 0.00 0.00 34 W H H 143.59 1.61 15.67 16.57 92.01 49.04 -64.04 -42.31 1.35 0.00 98.64 0.15 0.12 0.99 98.40 0.34 0.00 0.00 0.00 35 Y H H 107.95 3.59 13.40 18.34 92.49 48.79 -65.31 -41.26 1.31 0.01 98.69 0.19 0.13 0.88 98.33 0.46 0.00 0.00 0.00 36 E H H 92.89 4.43 12.42 18.49 92.04 51.22 -64.70 -38.97 2.29 0.01 97.70 0.28 0.18 1.67 97.05 0.81 0.00 0.00 0.00 37 N H H 113.65 1.14 14.31 14.64 93.05 48.94 -68.99 -36.54 5.49 0.01 94.50 0.40 0.39 4.51 93.51 1.17 0.01 0.00 0.00 38 H H H 131.74 1.66 13.52 15.01 96.35 43.38 -79.31 -29.00 17.61 0.04 82.35 0.86 1.44 15.29 80.93 1.41 0.03 0.01 0.03 39 N C T 73.92 6.24 9.62 17.64 101.85 40.69 -105.39 18.16 59.00 0.44 40.56 12.21 7.16 39.15 38.69 2.33 0.02 0.15 0.29 40 K C T 135.57 3.42 11.31 16.59 104.36 130.16 -62.02 99.92 65.17 0.67 34.16 13.49 8.24 43.43 25.19 8.82 0.04 0.28 0.52 41 G C T 53.99 2.17 13.74 16.29 98.05 12.29 78.62 -7.76 64.25 0.34 35.41 8.82 9.90 44.99 23.20 12.61 0.03 0.14 0.30 42 K C H 124.01 2.81 13.25 16.88 98.09 70.11 -86.53 -9.41 56.06 0.62 43.32 20.70 11.82 24.01 30.69 12.03 0.04 0.26 0.44 43 L H H 72.72 6.24 12.06 20.00 95.95 84.37 -65.79 -37.58 40.58 0.73 58.69 21.01 8.20 12.89 50.88 6.28 0.02 0.31 0.40 44 W H H 130.18 5.08 12.47 19.02 92.96 52.92 -64.41 -40.21 9.89 0.11 90.00 4.22 1.68 4.48 84.21 5.30 0.01 0.06 0.04 45 K H H 135.87 1.30 15.32 15.85 92.21 51.41 -65.51 -39.64 6.03 0.04 93.92 1.61 0.76 3.52 88.50 5.54 0.01 0.03 0.02 46 D H H 82.29 2.18 14.26 16.71 92.86 49.55 -66.75 -38.75 8.03 0.06 91.91 1.80 0.90 5.13 85.94 6.17 0.01 0.03 0.02 47 V H H 61.31 5.23 11.79 18.91 93.42 47.87 -67.81 -39.56 10.72 0.09 89.19 2.86 1.48 6.61 85.43 3.52 0.02 0.04 0.04 48 K H H 111.20 3.34 12.80 17.61 91.74 55.58 -62.46 -40.86 3.51 0.03 96.47 1.13 0.44 1.82 93.24 3.35 0.00 0.01 0.01 49 A H H 69.44 1.32 13.25 14.19 91.84 51.48 -64.85 -39.10 3.61 0.02 96.38 0.75 0.35 2.28 91.35 5.25 0.00 0.01 0.00 50 R H H 151.98 1.65 12.23 14.32 93.11 50.68 -67.28 -37.56 5.25 0.02 94.73 0.96 0.53 3.43 89.16 5.89 0.01 0.01 0.01 51 I H H 103.05 3.72 9.21 14.51 95.00 49.80 -73.33 -30.30 12.73 0.08 87.19 2.75 1.83 8.02 84.71 2.60 0.02 0.03 0.05 52 A H H 83.62 1.65 9.13 11.90 97.45 57.18 -76.37 -18.13 46.42 0.33 53.25 23.57 1.50 19.70 53.69 1.19 0.00 0.10 0.24 53 A C C 81.42 2.32 10.94 14.50 104.78 92.20 -74.76 50.61 99.89 0.01 0.10 99.47 0.12 0.32 0.09 0.00 0.00 0.00 0.00