# 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 132.15 2.96 9.70 14.51 116.97 -159.50 -101.69 129.51 99.73 0.25 0.02 99.72 0.09 0.03 0.01 0.00 0.00 0.13 0.02 1 V C C 117.88 1.91 7.56 11.30 114.45 -157.18 -98.68 124.16 79.69 16.93 3.38 77.14 1.42 1.53 2.18 0.89 0.00 10.90 5.93 2 L C C 137.56 1.19 7.44 9.99 113.49 -152.03 -95.18 127.70 77.84 14.95 7.21 52.07 11.62 14.41 3.59 3.37 0.03 12.22 2.68 3 G C C 58.23 1.46 9.25 11.76 112.18 -27.05 80.48 138.02 84.47 8.45 7.08 54.79 15.42 14.59 3.36 3.49 0.01 6.71 1.63 4 L C C 107.76 3.92 6.93 12.82 115.08 -109.73 -93.39 131.41 84.44 7.56 8.00 74.41 7.31 2.41 6.55 1.91 0.00 4.60 2.79 5 D C C 91.31 2.09 10.57 13.63 115.69 -127.45 -82.74 151.43 85.50 2.70 11.80 80.04 3.06 1.95 11.62 0.97 0.00 1.37 0.99 6 K H H 150.80 1.79 9.60 12.65 93.69 -115.62 -61.44 -36.33 12.73 0.24 87.03 4.07 2.39 6.82 79.46 6.97 0.05 0.14 0.09 7 R H H 167.38 1.04 11.55 12.48 92.91 54.34 -66.25 -37.44 8.97 0.17 90.87 1.83 1.21 5.93 83.45 7.36 0.05 0.12 0.05 8 A H H 59.43 2.69 10.84 14.81 93.52 51.06 -68.02 -37.03 6.93 0.18 92.89 1.89 0.96 4.15 83.96 8.83 0.03 0.14 0.05 9 L H H 88.89 3.29 11.09 15.88 92.93 53.10 -65.11 -40.37 4.67 0.15 95.18 1.48 0.66 2.69 89.07 5.93 0.02 0.11 0.03 10 W H H 159.77 1.97 12.64 15.12 93.07 49.78 -66.86 -38.14 5.48 0.09 94.43 0.69 0.47 4.16 86.14 8.43 0.03 0.07 0.02 11 G H H 45.05 2.05 12.85 15.42 93.26 51.82 -69.52 -31.24 17.47 0.07 82.46 0.67 0.85 15.96 75.04 7.34 0.07 0.04 0.04 12 A H H 64.83 2.84 12.66 16.44 95.43 50.50 -78.41 -24.47 28.67 0.11 71.21 1.35 1.95 25.52 66.07 4.88 0.10 0.05 0.08 13 L H H 89.93 3.68 11.88 16.95 95.71 69.88 -68.95 -37.47 17.25 0.18 82.57 7.58 5.73 4.89 79.68 1.96 0.01 0.06 0.08 14 P H H 81.27 2.34 13.39 16.20 94.61 53.79 -65.46 -41.09 10.62 0.10 89.28 4.61 1.17 4.73 86.49 2.90 0.00 0.06 0.04 15 L H H 105.75 1.93 14.10 16.03 93.63 49.95 -65.89 -38.94 5.28 0.11 94.61 1.77 0.62 2.90 91.00 3.61 0.01 0.07 0.03 16 L H H 95.51 2.27 14.44 16.95 92.61 51.14 -65.56 -40.24 2.06 0.03 97.91 0.57 0.24 1.18 96.42 1.56 0.00 0.01 0.01 17 G H H 36.50 2.91 14.00 17.86 92.22 51.75 -64.05 -41.46 1.19 0.01 98.80 0.21 0.11 0.77 98.48 0.43 0.00 0.00 0.00 18 F H H 119.75 2.24 14.91 17.35 92.19 50.10 -65.26 -41.33 0.34 0.00 99.66 0.04 0.02 0.22 99.58 0.14 0.00 0.00 0.00 19 A H H 59.87 2.30 15.46 17.85 92.15 50.30 -64.21 -42.24 0.15 0.00 99.85 0.02 0.01 0.09 99.83 0.06 0.00 0.00 0.00 20 I H H 95.10 1.98 15.99 17.63 91.86 48.84 -64.70 -41.89 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 21 G H H 32.49 3.04 14.77 18.85 92.13 50.77 -63.26 -41.84 0.21 0.00 99.79 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 22 H H H 101.85 2.58 15.35 18.23 91.99 49.90 -64.48 -41.61 0.34 0.00 99.66 0.02 0.01 0.26 99.62 0.08 0.00 0.00 0.00 23 F H H 114.26 2.10 15.45 17.53 92.07 50.04 -64.35 -42.19 0.64 0.00 99.36 0.06 0.03 0.49 99.26 0.17 0.00 0.00 0.00 24 L H H 92.06 1.99 15.22 17.13 91.88 49.36 -65.03 -41.04 1.80 0.00 98.20 0.20 0.12 1.35 97.87 0.46 0.00 0.00 0.00 25 D H H 77.55 2.62 14.78 17.90 92.07 50.92 -65.07 -40.17 6.97 0.02 93.02 0.69 0.50 5.36 92.73 0.70 0.01 0.00 0.01 26 K H H 115.66 2.21 15.14 17.42 92.30 50.09 -65.99 -39.12 16.90 0.07 83.03 2.91 1.76 11.80 82.13 1.30 0.02 0.03 0.05 27 K H H 111.40 2.36 15.08 17.70 92.34 52.10 -65.04 -40.55 17.80 0.25 81.95 7.33 3.10 8.04 78.97 2.32 0.02 0.10 0.12 28 E H H 101.69 2.43 14.78 17.57 92.16 50.59 -65.10 -39.92 18.92 0.30 80.78 9.71 2.86 7.12 77.24 2.80 0.01 0.14 0.12 29 T H H 71.67 2.56 14.42 17.52 92.51 50.20 -66.00 -40.14 17.70 0.29 82.01 9.29 2.78 6.44 77.85 3.36 0.01 0.15 0.11 30 E H H 105.66 2.14 14.48 16.82 92.15 51.45 -65.36 -39.51 14.22 0.26 85.52 6.86 2.35 5.74 80.56 4.24 0.02 0.14 0.09 31 R H H 136.31 2.09 14.41 16.72 92.50 51.04 -66.02 -39.02 15.10 0.33 84.56 6.30 2.54 7.05 78.57 5.20 0.03 0.19 0.12 32 M H H 98.74 3.12 13.06 17.25 92.92 51.02 -68.10 -36.95 18.55 0.45 81.00 7.81 3.06 8.66 73.50 6.50 0.04 0.26 0.17 33 T H H 75.74 2.98 12.99 16.96 93.40 54.20 -67.78 -37.23 24.90 0.78 74.32 10.83 4.42 10.91 64.28 8.74 0.06 0.43 0.33 34 M H H 122.93 1.80 13.57 15.53 94.47 54.90 -70.84 -31.12 35.41 0.83 63.76 10.13 6.12 19.53 52.32 10.94 0.11 0.45 0.39 35 F H H 121.22 3.95 11.43 16.77 100.49 52.82 -88.81 -1.49 46.65 1.51 51.84 18.69 8.68 20.48 39.89 10.59 0.10 0.73 0.82 36 R C H 142.66 3.75 11.89 17.24 101.22 100.12 -74.32 -20.35 60.73 1.85 37.41 28.66 13.40 19.28 31.29 5.55 0.04 0.82 0.96 37 D C C 79.70 4.13 12.47 17.98 107.58 72.52 -89.18 100.81 65.92 1.64 32.44 43.19 11.82 10.64 28.99 3.75 0.01 0.62 0.98 38 K H H 118.26 3.56 12.94 17.78 94.88 99.35 -67.25 -32.61 14.58 0.24 85.18 3.43 2.67 8.95 76.81 7.82 0.10 0.12 0.11 39 S H H 49.33 4.53 11.47 17.89 93.49 55.22 -66.47 -37.99 10.81 0.19 89.00 2.20 1.47 7.19 79.57 9.32 0.07 0.12 0.07 40 A H H 63.93 3.48 11.65 16.49 93.48 53.17 -67.40 -37.82 7.98 0.19 91.83 1.70 1.16 5.10 80.22 11.57 0.06 0.12 0.06 41 L H H 118.38 2.04 11.78 14.61 94.46 47.82 -72.77 -33.39 14.41 0.31 85.28 1.87 1.99 10.71 75.88 9.06 0.18 0.17 0.15 42 Y H H 153.00 2.14 11.42 14.33 98.12 38.30 -97.03 -1.83 47.06 0.73 52.21 3.36 6.29 37.56 46.13 5.55 0.28 0.30 0.52 43 G C T 57.02 1.95 11.93 15.01 97.04 -117.47 73.72 18.24 97.32 0.51 2.17 25.58 10.34 61.84 1.07 0.71 0.00 0.25 0.21 44 R C C 118.85 4.68 9.95 16.74 121.68 143.08 -92.65 148.30 96.98 2.39 0.63 75.33 20.24 1.40 0.25 0.34 0.00 1.04 1.41 45 P C C 99.49 2.45 13.30 16.84 113.05 -102.00 -69.22 142.17 94.48 4.22 1.29 85.53 6.15 2.51 0.45 0.77 0.00 1.90 2.68 46 A C C 61.72 7.33 9.18 17.84 111.88 -128.18 -83.00 137.99 92.75 3.40 3.85 63.50 15.46 13.41 1.17 2.69 0.00 1.53 2.23 47 G C C 44.02 4.10 10.79 16.31 116.59 -19.80 67.51 -165.81 92.97 1.88 5.15 46.37 25.71 20.71 1.10 4.13 0.00 0.78 1.19 48 S C C 90.30 1.56 10.82 13.15 101.24 -44.46 -76.96 2.69 85.67 1.78 12.55 40.31 24.04 20.75 1.82 11.10 0.00 0.72 1.27 49 E C T 148.27 1.68 9.63 12.41 101.55 35.42 -77.00 23.71 88.12 0.83 11.05 14.51 16.20 56.42 1.19 10.73 0.00 0.43 0.53 50 G C T 60.55 1.58 10.73 13.13 100.48 -42.08 78.71 6.39 91.41 0.95 7.64 23.64 18.36 48.59 0.75 7.72 0.00 0.49 0.45 51 K C C 116.09 4.05 9.07 15.22 117.54 131.33 -88.26 141.73 93.23 3.88 2.88 68.19 21.69 2.61 0.76 2.14 0.00 1.38 3.23 52 A C C 78.03 2.83 11.69 16.12 115.93 -112.31 -77.19 145.88 96.84 2.75 0.40 86.15 9.98 0.66 0.16 0.21 0.00 1.28 1.55 53 P C C 76.95 7.71 9.06 18.15 113.39 -105.06 -68.51 148.34 96.97 2.33 0.70 91.34 3.68 1.99 0.23 0.36 0.00 1.03 1.37 54 S C C 80.21 3.64 10.40 15.61 105.66 -132.01 -82.56 41.38 96.81 2.57 0.62 91.78 2.10 3.00 0.22 0.24 0.00 0.96 1.69 55 W C C 160.25 6.18 11.11 18.40 101.79 -126.40 -86.42 0.50 99.72 0.26 0.02 99.49 0.26 0.06 0.01 0.00 0.00 0.13 0.06