# 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 V C C 78.83 8.23 12.15 21.69 120.36 -167.14 -109.74 132.10 99.60 0.37 0.03 99.53 0.16 0.06 0.01 0.00 0.00 0.19 0.06 1 H C C 128.07 4.05 10.68 16.48 115.79 -157.96 -102.82 125.58 90.10 8.00 1.90 86.24 2.17 1.99 0.91 0.72 0.00 4.01 3.97 2 F C C 117.78 5.85 7.55 15.05 113.98 -157.89 -100.36 121.81 86.13 7.49 6.38 69.52 9.50 6.41 2.35 4.05 0.00 4.01 4.15 3 K C T 162.62 1.37 10.66 12.72 100.04 -149.50 -76.88 -22.78 89.07 2.15 8.78 22.17 19.46 48.07 2.03 6.09 0.01 1.10 1.07 4 D C T 114.55 1.69 10.10 12.77 107.37 37.75 -103.00 41.43 88.63 1.33 10.04 16.44 22.91 49.78 2.23 7.19 0.00 0.64 0.82 5 G C S 34.22 4.78 10.92 17.25 126.95 97.83 117.99 -173.46 83.31 4.22 12.48 34.19 41.42 8.34 3.72 7.52 0.01 1.55 3.25 6 V C T 98.98 3.97 12.25 17.36 98.43 -44.46 -70.09 -13.02 70.32 1.76 27.91 9.19 9.45 51.06 3.52 24.81 0.02 1.01 0.94 7 Y C T 111.14 8.73 10.63 20.33 96.66 47.14 -80.26 4.34 70.80 1.04 28.16 9.12 7.17 53.36 3.63 25.54 0.00 0.58 0.59 8 E C T 115.83 4.71 12.77 19.22 93.34 100.31 -67.04 -22.68 72.57 1.18 26.25 14.41 8.87 48.70 3.89 22.77 0.01 0.60 0.75 9 N C T 109.96 3.01 13.56 17.53 98.36 48.38 -97.10 8.18 82.42 1.14 16.43 15.51 14.28 52.21 2.60 14.08 0.01 0.57 0.75 10 I C C 63.97 9.69 8.43 19.60 116.44 113.03 -82.29 134.20 95.09 3.98 0.93 54.24 39.00 1.58 0.37 0.48 0.00 1.18 3.15 11 P C C 95.47 3.30 12.94 17.51 97.59 -124.17 -68.37 -16.42 93.54 1.85 4.61 34.03 29.48 30.16 0.99 3.58 0.00 0.90 0.87 12 F C C 115.78 5.85 10.54 17.94 116.22 59.45 -110.91 132.23 87.33 6.62 6.06 31.45 30.74 25.69 1.35 4.34 0.02 2.87 3.53 13 K C C 153.90 2.14 13.39 16.59 108.31 -141.09 -85.19 104.80 90.95 4.52 4.54 75.05 10.79 4.76 1.39 3.23 0.00 2.47 2.31 14 V C C 71.61 9.38 7.54 17.82 111.17 -166.67 -96.53 121.05 88.44 6.13 5.43 76.72 6.88 4.26 2.37 2.88 0.00 3.14 3.74 15 K C C 158.86 1.49 11.55 13.91 111.84 -151.01 -88.27 130.99 90.79 2.95 6.27 47.75 19.09 24.34 2.09 3.80 0.00 1.43 1.49 16 G C C 54.26 2.35 11.11 14.59 107.53 16.19 89.51 22.58 91.65 1.51 6.84 32.54 29.26 30.35 2.01 4.31 0.00 0.66 0.85 17 R C C 151.24 3.71 8.93 14.39 109.67 121.18 -89.29 111.88 87.93 2.24 9.83 49.02 24.63 14.41 4.98 4.44 0.00 0.90 1.61 18 K C C 135.98 2.58 10.30 14.32 108.41 65.39 -81.60 114.89 81.20 1.88 16.92 46.51 24.19 10.28 13.72 3.27 0.01 0.64 1.38 19 T H H 89.81 2.47 11.43 14.77 100.33 -69.55 -69.53 -39.89 43.73 0.50 55.77 20.44 12.28 11.81 52.02 2.99 0.01 0.19 0.26 20 P H H 89.40 1.85 12.75 14.81 94.30 49.90 -66.11 -34.81 28.33 0.33 71.35 10.50 4.50 14.09 67.51 3.05 0.03 0.16 0.16 21 Y H H 118.84 3.90 11.72 16.94 93.88 51.00 -69.18 -36.37 14.62 0.25 85.13 5.66 2.27 7.36 81.54 2.90 0.03 0.12 0.12 22 A H H 50.21 4.61 12.23 18.59 92.27 56.39 -63.73 -40.99 4.45 0.05 95.50 1.94 0.64 1.92 94.23 1.23 0.00 0.02 0.02 23 L H H 101.02 1.65 15.26 16.41 92.33 50.17 -64.73 -40.78 1.17 0.01 98.82 0.35 0.13 0.61 98.34 0.57 0.00 0.00 0.00 24 S H H 59.27 2.84 15.08 18.47 92.23 50.16 -65.10 -40.55 0.89 0.01 99.10 0.20 0.07 0.54 98.72 0.46 0.00 0.00 0.00 25 H H H 87.99 5.31 14.17 20.93 92.23 50.22 -64.96 -41.38 0.89 0.01 99.10 0.16 0.07 0.60 98.77 0.40 0.00 0.00 0.00 26 F H H 112.35 3.08 15.91 19.48 91.86 50.28 -64.38 -41.24 0.74 0.00 99.25 0.11 0.06 0.51 99.04 0.27 0.00 0.00 0.00 27 G H H 36.47 2.37 16.19 18.64 91.75 50.72 -64.05 -41.54 1.13 0.00 98.86 0.12 0.07 0.86 98.54 0.39 0.00 0.00 0.00 28 F H H 106.23 3.68 15.82 20.24 92.31 49.36 -65.41 -41.62 1.38 0.01 98.61 0.09 0.08 1.17 98.09 0.56 0.01 0.00 0.00 29 F H H 102.92 5.20 15.45 21.55 92.16 48.79 -64.96 -41.21 2.90 0.01 97.09 0.16 0.17 2.57 96.17 0.89 0.02 0.00 0.01 30 A H H 60.70 2.92 16.38 19.39 92.33 50.12 -65.44 -41.11 5.70 0.01 94.29 0.24 0.31 5.20 92.95 1.26 0.02 0.00 0.01 31 I H H 101.51 2.12 17.25 18.80 93.29 46.30 -68.38 -39.80 7.44 0.02 92.54 0.32 0.50 6.69 88.60 3.82 0.04 0.01 0.01 32 G H H 30.80 6.06 14.83 22.26 93.49 49.50 -67.00 -38.56 15.73 0.02 84.25 0.44 0.63 14.66 76.94 7.26 0.03 0.01 0.02 33 F H H 104.19 6.20 15.46 22.49 94.40 45.22 -74.25 -31.44 37.42 0.05 62.53 0.69 1.45 34.86 54.68 8.21 0.05 0.02 0.05 34 A H H 57.01 3.66 16.51 20.77 92.97 58.10 -65.75 -39.08 10.98 0.03 88.98 0.64 0.86 9.22 85.74 3.50 0.02 0.01 0.02 35 V H H 81.91 2.70 17.54 20.16 92.41 53.21 -64.19 -42.88 1.29 0.00 98.71 0.16 0.11 0.80 98.46 0.47 0.00 0.00 0.00 36 P H H 58.94 6.24 15.70 23.02 92.17 49.69 -65.24 -40.24 0.71 0.00 99.29 0.09 0.03 0.47 98.92 0.49 0.00 0.00 0.00 37 F H H 105.94 4.92 16.62 22.07 92.19 50.28 -64.91 -41.52 0.28 0.00 99.72 0.02 0.01 0.20 99.41 0.35 0.00 0.00 0.00 38 V H H 86.43 1.93 18.36 19.31 91.91 49.78 -64.47 -42.15 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 39 A H H 53.12 3.12 16.97 20.51 91.62 50.08 -63.95 -41.75 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 40 C H H 49.82 6.17 15.11 22.51 91.78 50.48 -64.03 -41.53 0.19 0.00 99.81 0.01 0.01 0.15 99.80 0.04 0.00 0.00 0.00 41 Y H H 120.57 3.13 16.67 20.16 91.55 50.45 -63.29 -42.01 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 42 V H H 81.86 1.87 16.67 17.90 91.62 49.60 -64.01 -42.29 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 43 Q H H 88.54 3.48 14.66 18.98 92.05 49.86 -64.54 -40.86 0.53 0.00 99.47 0.05 0.03 0.38 99.43 0.10 0.00 0.00 0.00 44 L H H 78.80 4.48 12.67 18.40 92.19 50.11 -65.10 -40.39 1.60 0.00 98.40 0.16 0.12 1.18 98.24 0.29 0.00 0.00 0.00 45 K H H 134.38 1.58 13.24 14.99 92.31 50.13 -65.70 -38.49 4.72 0.01 95.27 0.53 0.41 3.54 94.91 0.59 0.01 0.01 0.00 46 K H H 142.48 1.35 12.00 13.52 93.73 50.93 -69.78 -32.58 13.34 0.05 86.60 1.42 1.31 10.38 85.89 0.94 0.02 0.02 0.03 47 S H H 72.42 2.86 10.11 14.25 96.84 50.51 -81.74 -9.03 43.81 0.19 56.00 3.87 5.02 34.34 54.77 1.75 0.05 0.06 0.14 48 G C T 58.10 1.75 10.52 13.31 99.29 -102.98 73.80 7.96 73.59 0.53 25.88 13.33 8.87 50.64 23.72 2.91 0.01 0.20 0.33 49 A C C 75.43 3.04 8.73 13.46 102.68 116.80 -83.14 8.80 91.36 0.58 8.06 73.72 1.92 16.44 5.74 1.54 0.00 0.28 0.36 50 F C C 136.04 4.66 10.88 17.00 103.84 88.12 -84.59 27.81 99.93 0.05 0.02 99.84 0.08 0.04 0.01 0.00 0.00 0.02 0.01