# 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 61.29 4.60 12.00 17.87 109.97 -164.36 -86.55 130.12 99.94 0.01 0.05 99.87 0.05 0.04 0.03 0.00 0.00 0.00 0.00 1 S H H 76.31 2.15 10.40 13.45 96.24 88.60 -69.35 -33.64 25.15 0.19 74.66 16.74 1.49 7.19 71.18 3.21 0.00 0.08 0.10 2 L H H 115.12 1.27 9.95 11.58 93.75 56.35 -66.66 -38.14 15.23 0.19 84.58 5.15 2.51 7.97 79.14 5.01 0.03 0.10 0.09 3 Y H H 136.14 2.16 9.94 13.30 93.69 51.60 -67.14 -37.93 10.12 0.21 89.67 4.31 1.73 4.56 82.83 6.35 0.02 0.12 0.08 4 K H H 122.06 2.09 10.91 13.99 93.47 53.38 -67.00 -37.84 8.78 0.18 91.04 3.70 1.61 4.06 86.04 4.37 0.03 0.10 0.07 5 T H H 82.17 1.64 11.67 13.63 93.56 50.57 -67.47 -40.05 9.68 0.18 90.15 1.91 1.59 6.61 85.86 3.71 0.14 0.09 0.09 6 F H H 131.40 1.78 11.71 13.92 94.56 46.04 -69.76 -38.90 15.27 0.20 84.54 1.55 1.94 12.27 80.04 3.77 0.22 0.09 0.12 7 F H H 124.15 2.92 10.80 14.91 96.79 43.53 -78.83 -27.60 27.32 0.36 72.32 3.84 4.04 20.40 66.57 4.57 0.19 0.16 0.22 8 K H H 133.25 2.27 11.74 14.94 95.56 64.34 -71.79 -27.69 46.01 0.65 53.35 8.81 8.62 29.44 47.51 4.81 0.13 0.28 0.39 9 R C H 147.24 2.39 11.62 14.96 105.42 48.91 -91.41 28.39 57.67 1.02 41.31 20.82 12.87 25.14 35.59 4.51 0.05 0.39 0.64 10 N H H 88.32 4.18 10.70 16.48 101.94 118.85 -74.48 -29.18 32.31 0.50 67.19 19.60 7.17 6.28 64.36 2.15 0.01 0.18 0.25 11 A H H 73.77 2.23 12.66 15.47 94.87 59.13 -66.27 -34.99 10.60 0.10 89.30 3.39 1.72 5.44 87.29 2.05 0.01 0.05 0.04 12 V H H 86.74 2.43 13.49 16.40 93.22 51.92 -66.32 -40.15 5.17 0.07 94.76 1.82 0.65 2.55 93.48 1.43 0.01 0.04 0.02 13 F H H 103.30 4.16 12.81 18.48 92.65 50.94 -65.37 -40.45 1.91 0.02 98.07 0.70 0.21 0.85 97.47 0.76 0.00 0.01 0.00 14 V H H 82.93 3.10 14.28 18.15 91.97 51.07 -64.75 -41.20 0.79 0.00 99.20 0.22 0.07 0.38 99.10 0.24 0.00 0.00 0.00 15 G H H 39.16 2.09 14.97 17.14 91.93 50.93 -64.30 -40.92 0.69 0.00 99.31 0.12 0.04 0.40 99.24 0.20 0.00 0.00 0.00 16 T H H 75.82 2.24 15.09 17.48 92.46 49.04 -65.80 -41.15 0.69 0.00 99.31 0.08 0.04 0.46 99.26 0.16 0.00 0.00 0.00 17 I H H 90.27 3.31 14.65 18.79 92.06 49.31 -64.72 -42.15 0.72 0.00 99.28 0.07 0.04 0.50 99.26 0.12 0.00 0.00 0.00 18 F H H 117.16 2.52 15.60 18.39 91.95 48.91 -64.82 -41.81 0.74 0.00 99.25 0.08 0.05 0.52 99.24 0.10 0.00 0.00 0.00 19 A H H 60.53 1.85 16.19 17.54 91.63 50.24 -63.83 -41.85 0.42 0.00 99.58 0.05 0.02 0.27 99.59 0.08 0.00 0.00 0.00 20 G H H 35.40 2.39 15.65 18.30 91.79 50.36 -63.94 -41.19 0.39 0.00 99.61 0.03 0.02 0.25 99.63 0.07 0.00 0.00 0.00 21 A H H 50.50 3.43 14.44 19.00 91.75 50.66 -64.00 -41.46 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 22 F H H 116.86 2.38 15.61 18.13 91.90 50.30 -64.61 -41.39 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 23 V H H 91.48 1.41 16.23 16.50 91.76 49.89 -64.08 -41.95 0.31 0.00 99.69 0.02 0.01 0.21 99.71 0.04 0.00 0.00 0.00 24 F H H 120.49 1.84 15.54 17.02 92.04 49.17 -64.95 -41.20 0.34 0.00 99.66 0.03 0.01 0.23 99.67 0.06 0.00 0.00 0.00 25 Q H H 90.85 3.69 14.26 19.08 92.08 50.99 -64.41 -40.51 0.42 0.00 99.58 0.03 0.02 0.30 99.58 0.07 0.00 0.00 0.00 26 T H H 75.22 2.47 15.42 18.12 91.92 49.80 -64.74 -41.20 0.61 0.00 99.39 0.05 0.03 0.45 99.37 0.09 0.00 0.00 0.00 27 V H H 86.97 1.53 16.27 16.80 91.77 49.97 -64.40 -41.74 0.97 0.00 99.03 0.10 0.06 0.68 99.04 0.13 0.00 0.00 0.00 28 F H H 115.11 2.20 15.57 17.75 92.22 48.75 -65.01 -41.42 0.77 0.00 99.23 0.12 0.06 0.47 99.21 0.14 0.00 0.00 0.00 29 D H H 72.41 3.92 14.33 19.49 92.05 50.45 -64.43 -40.87 0.80 0.00 99.19 0.13 0.05 0.49 99.20 0.12 0.00 0.00 0.00 30 T H H 79.55 2.08 16.11 17.96 92.06 49.81 -65.08 -40.93 0.97 0.00 99.03 0.09 0.06 0.70 99.01 0.14 0.00 0.00 0.00 31 A H H 61.34 1.75 16.55 17.52 91.99 49.82 -64.70 -41.18 1.21 0.00 98.79 0.12 0.08 0.85 98.79 0.17 0.00 0.00 0.00 32 I H H 84.46 2.98 15.44 19.07 92.12 49.12 -64.91 -41.51 1.44 0.00 98.56 0.17 0.11 0.96 98.55 0.20 0.00 0.00 0.00 33 T H H 65.50 3.96 14.63 19.90 91.97 49.99 -64.53 -40.91 1.52 0.00 98.48 0.21 0.11 0.99 98.46 0.23 0.00 0.00 0.00 34 S H H 59.63 2.08 15.68 17.70 91.72 50.75 -63.99 -41.28 1.77 0.00 98.22 0.19 0.13 1.26 98.11 0.31 0.00 0.00 0.00 35 W H H 143.72 1.60 15.67 16.53 91.97 49.05 -64.06 -42.31 1.25 0.00 98.74 0.13 0.10 0.91 98.53 0.32 0.00 0.00 0.00 36 Y H H 107.67 3.61 13.33 18.32 92.51 48.79 -65.27 -41.23 1.25 0.01 98.75 0.18 0.13 0.83 98.41 0.44 0.00 0.00 0.00 37 E H H 92.21 4.43 12.34 18.45 92.00 50.97 -64.68 -38.68 2.23 0.01 97.76 0.28 0.18 1.62 97.13 0.78 0.00 0.00 0.00 38 N H H 113.93 1.10 14.31 14.53 92.83 48.99 -69.20 -36.75 5.28 0.01 94.71 0.39 0.38 4.34 93.74 1.13 0.01 0.00 0.00 39 H H H 132.33 1.61 13.40 14.82 96.27 43.20 -79.75 -28.90 16.80 0.04 83.17 0.82 1.37 14.59 81.81 1.34 0.03 0.01 0.02 40 N C H 73.61 6.21 9.38 17.40 101.64 40.33 -105.27 17.03 58.43 0.43 41.15 11.93 7.04 38.91 39.35 2.31 0.02 0.14 0.29 41 K C T 138.30 3.15 11.24 16.22 105.64 137.05 -61.37 115.10 67.13 0.65 32.22 12.62 8.33 46.17 23.71 8.35 0.04 0.28 0.51 42 G C T 54.93 2.02 13.52 15.86 97.29 11.98 78.19 -6.30 65.98 0.32 33.71 8.46 10.04 47.18 21.87 12.00 0.03 0.13 0.29 43 K C H 124.28 2.76 12.95 16.60 98.70 70.59 -86.84 -10.07 58.82 0.64 40.54 21.85 13.13 24.63 28.18 11.46 0.03 0.26 0.46 44 L H H 73.38 6.10 11.84 19.63 96.04 81.19 -67.38 -36.07 44.96 0.83 54.21 23.91 9.12 13.49 46.34 6.30 0.02 0.35 0.48 45 W H H 129.37 4.91 12.07 18.51 92.89 56.65 -64.59 -39.18 11.66 0.14 88.21 5.19 1.97 5.09 80.89 6.73 0.01 0.07 0.05 46 K H H 135.46 1.28 14.81 15.42 92.24 52.11 -65.52 -39.61 6.51 0.05 93.44 1.65 0.80 3.83 85.89 7.77 0.01 0.03 0.02 47 D H H 83.29 2.08 13.47 15.92 93.05 49.95 -67.04 -38.93 8.27 0.05 91.68 1.59 0.88 5.42 83.46 8.60 0.01 0.03 0.02 48 V H H 64.51 4.85 10.75 17.50 94.07 48.59 -69.30 -37.69 12.84 0.10 87.06 2.90 1.75 8.31 80.50 6.41 0.03 0.05 0.05 49 K H H 116.23 3.08 11.37 16.06 91.87 57.51 -63.32 -39.79 6.81 0.06 93.13 1.97 0.84 3.69 79.26 14.18 0.01 0.04 0.02 50 A H H 79.45 1.11 11.70 12.65 92.27 52.46 -66.29 -34.03 9.14 0.04 90.82 1.30 0.72 6.18 70.91 20.85 0.01 0.02 0.02 51 R H H 166.47 1.36 10.76 12.66 93.53 53.03 -71.62 -29.82 15.47 0.08 84.46 2.22 1.36 10.55 65.04 20.74 0.02 0.04 0.04 52 I H H 111.83 3.37 7.98 12.93 100.05 48.94 -88.36 -8.58 40.08 0.46 59.47 19.70 2.46 19.16 51.41 6.72 0.01 0.18 0.36 53 A C C 78.04 2.98 10.70 15.22 104.99 101.72 -78.77 73.39 99.95 0.02 0.03 99.86 0.05 0.06 0.02 0.00 0.00 0.01 0.00