# 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 119.32 4.82 11.69 17.92 114.37 -165.53 -98.14 131.51 99.54 0.39 0.07 99.43 0.18 0.05 0.05 0.01 0.00 0.16 0.11 1 A C C 64.74 4.82 9.65 16.23 115.88 -138.28 -86.20 140.71 89.88 1.07 9.05 87.23 1.09 1.33 9.12 0.38 0.00 0.50 0.34 2 P C C 85.27 3.78 10.18 15.67 108.08 -107.56 -68.51 136.72 74.88 2.22 22.90 65.77 3.65 3.79 23.59 1.37 0.00 1.18 0.66 3 V H H 93.95 3.57 10.13 15.19 100.56 56.57 -75.01 -32.20 46.56 5.10 48.35 39.40 4.16 3.73 46.17 2.21 0.01 3.15 1.19 4 F H H 122.02 4.09 10.84 16.26 98.14 56.66 -72.23 -35.62 25.81 6.46 67.73 21.35 3.18 3.27 62.94 3.03 0.02 5.44 0.77 5 L H H 94.45 3.80 11.68 16.70 95.78 55.47 -69.67 -37.95 13.12 4.43 82.45 10.61 1.78 2.54 76.68 3.66 0.02 4.35 0.37 6 K H H 122.91 2.43 13.56 16.49 94.87 53.18 -68.43 -39.06 9.80 3.64 86.56 6.93 1.50 2.64 81.06 3.84 0.02 3.71 0.31 7 A H H 56.23 3.88 12.01 17.36 94.29 52.62 -68.04 -38.33 9.56 2.80 87.64 5.80 1.51 3.26 82.04 4.26 0.03 2.82 0.27 8 L H H 91.35 4.53 11.58 17.53 94.90 54.14 -70.11 -34.31 11.76 3.22 85.02 6.37 1.84 4.49 78.90 4.84 0.05 3.15 0.37 9 R H H 146.55 2.68 12.87 16.55 94.42 58.60 -69.12 -34.72 17.49 4.53 77.98 7.86 2.61 7.52 72.24 4.75 0.10 4.38 0.55 10 Y H H 143.27 2.51 13.01 16.17 96.92 52.59 -74.46 -32.21 22.40 6.38 71.23 11.21 3.45 8.32 65.73 4.41 0.10 6.00 0.77 11 V H H 79.59 5.00 11.34 17.87 99.73 60.51 -80.62 -28.07 26.42 8.21 65.37 16.01 3.89 6.92 60.93 3.73 0.06 7.59 0.87 12 I H H 98.13 4.88 11.09 17.46 99.71 53.60 -77.25 -27.43 32.50 8.87 58.63 18.98 4.67 8.96 53.80 4.43 0.07 7.95 1.13 13 Y C H 149.67 3.25 11.37 15.84 101.39 52.98 -85.13 -9.26 51.08 5.56 43.36 23.22 7.41 19.54 40.01 4.33 0.09 4.32 1.08 14 S C C 74.34 3.39 11.01 15.71 103.17 57.90 -89.23 -1.39 66.54 3.42 30.04 28.40 12.25 25.05 27.43 3.68 0.05 2.26 0.87 15 Y C C 126.30 4.91 9.39 16.07 114.47 61.45 -101.61 124.77 78.42 2.17 19.42 41.94 28.16 7.10 19.17 1.80 0.01 1.09 0.74 16 P H H 89.26 3.08 11.36 15.69 103.27 -108.58 -69.94 58.38 47.25 1.16 51.59 22.88 7.13 16.28 48.52 4.09 0.01 0.77 0.31 17 L H H 112.82 2.79 11.05 15.02 97.00 60.31 -69.87 -31.00 30.50 2.06 67.45 13.30 4.99 12.99 61.88 4.63 0.06 1.71 0.43 18 Y H H 135.24 3.44 12.38 16.93 96.64 56.79 -71.36 -35.96 17.74 4.69 77.57 10.77 2.71 5.37 72.03 3.99 0.04 4.54 0.54 19 V H H 72.78 4.85 12.49 18.94 95.35 55.05 -68.66 -40.31 8.48 4.59 86.92 5.65 1.22 2.17 83.98 1.89 0.01 4.80 0.28 20 C H H 62.72 4.09 13.43 18.91 94.20 52.86 -66.70 -40.40 4.97 3.70 91.33 3.09 0.66 1.37 89.37 1.26 0.01 4.07 0.16 21 Y H H 120.97 3.25 14.68 18.64 93.95 52.35 -66.87 -40.68 3.59 2.66 93.76 2.10 0.52 1.19 91.95 1.09 0.01 3.02 0.12 22 L H H 84.10 4.03 13.93 19.19 93.70 51.38 -66.27 -40.80 2.91 1.81 95.29 1.57 0.43 1.10 93.97 0.84 0.01 2.00 0.08 23 I H H 90.29 3.57 13.92 18.50 93.80 50.07 -66.51 -41.07 3.09 1.14 95.77 1.68 0.45 1.21 94.63 0.75 0.01 1.19 0.07 24 K H H 122.37 2.48 14.77 17.55 94.00 49.84 -67.07 -39.45 4.96 0.82 94.22 2.25 0.63 2.39 92.86 0.98 0.02 0.79 0.08 25 Q H H 105.43 2.79 14.19 17.49 94.09 49.91 -68.94 -37.07 8.96 0.63 90.41 3.07 1.09 5.06 88.68 1.43 0.03 0.53 0.11 26 A H H 56.72 4.14 12.63 18.20 95.00 54.32 -69.50 -34.64 18.95 0.79 80.27 7.23 2.56 9.31 78.30 1.83 0.03 0.52 0.21 27 Q H H 110.47 3.03 13.26 17.08 96.57 55.89 -73.76 -26.69 33.04 1.73 65.23 15.39 4.23 13.71 62.68 2.39 0.03 1.09 0.49 28 I H H 106.81 3.05 12.08 16.16 100.09 61.86 -75.84 -25.04 36.45 2.42 61.12 20.88 6.00 9.99 58.36 2.60 0.03 1.50 0.64 29 N H H 108.88 2.49 12.24 15.54 101.36 54.43 -84.89 4.28 47.65 1.69 50.66 28.06 5.66 13.04 49.27 2.48 0.01 0.96 0.52 30 A C H 68.58 4.09 9.91 15.51 103.24 89.40 -82.83 26.48 55.14 1.75 43.11 32.46 7.92 14.13 40.55 3.36 0.02 0.96 0.61 31 Q C H 130.63 2.27 10.62 14.09 107.03 75.76 -88.11 70.60 62.00 2.10 35.89 29.21 11.02 21.46 32.76 3.60 0.04 1.14 0.76 32 G C C 48.33 3.65 10.42 15.41 109.77 39.89 -64.23 110.68 70.70 2.06 27.24 34.49 14.82 21.29 23.64 3.88 0.02 1.11 0.74 33 S C C 75.65 3.17 9.69 14.31 110.14 63.49 -89.08 123.08 65.01 3.07 31.92 46.85 10.10 7.57 28.57 4.10 0.01 1.91 0.89 34 E C H 133.06 2.51 8.99 12.98 109.65 -156.66 -86.56 114.17 50.43 4.44 45.13 35.27 9.02 7.02 39.45 5.07 0.02 3.11 1.03 35 K H H 140.82 2.37 8.62 12.47 110.79 -145.43 -87.30 120.42 47.10 4.75 48.15 34.87 6.78 6.25 41.66 5.81 0.02 3.69 0.91 36 E H H 131.09 2.50 7.91 11.96 110.73 -137.90 -88.23 119.78 43.87 4.23 51.90 33.01 5.86 5.92 44.15 6.90 0.01 3.29 0.85 37 E H H 140.13 1.78 7.87 10.99 108.50 -130.88 -86.22 100.45 45.52 3.49 51.00 30.92 7.02 8.35 41.82 8.48 0.02 2.55 0.84 38 E C H 145.46 1.55 7.38 10.24 108.24 -128.53 -86.89 96.02 53.72 2.98 43.30 33.13 7.64 13.24 34.94 8.08 0.03 2.02 0.90 39 H C C 149.41 1.71 6.65 9.86 108.34 -144.67 -90.86 84.84 70.01 1.72 28.27 54.19 2.00 14.15 23.88 4.02 0.00 1.02 0.75 40 H C C 144.07 2.40 8.76 12.83 110.10 -146.83 -92.61 108.04 99.83 0.04 0.14 99.57 0.11 0.20 0.10 0.01 0.00 0.01 0.01