# 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 126.53 4.10 9.69 15.54 112.31 -156.08 -92.98 128.69 99.92 0.06 0.01 99.82 0.09 0.04 0.00 0.00 0.00 0.03 0.01 1 G C C 56.33 2.10 8.56 12.09 116.42 -133.85 -89.77 164.79 96.53 2.43 1.05 90.84 1.23 4.79 0.32 0.48 0.00 1.53 0.80 2 K C C 166.39 1.27 7.15 9.78 112.39 -103.58 -89.53 132.45 91.98 6.26 1.76 60.04 22.72 9.23 0.40 1.54 0.00 4.14 1.91 3 Q C C 146.22 1.11 7.27 9.70 116.37 -141.05 -95.28 131.33 89.47 9.31 1.21 65.90 20.91 2.76 0.35 0.96 0.00 7.20 1.92 4 I C C 136.04 1.91 6.51 10.41 114.67 -128.06 -88.23 132.61 88.05 11.06 0.89 78.83 7.76 1.29 0.33 0.53 0.00 9.37 1.89 5 V C C 109.89 2.05 6.61 10.61 119.08 -153.56 -105.75 131.60 85.47 13.97 0.55 77.73 6.97 0.68 0.29 0.26 0.00 11.87 2.18 6 P C C 115.41 1.32 7.40 10.24 112.73 -117.32 -73.70 133.98 82.82 15.96 1.22 78.02 3.49 1.19 0.64 0.54 0.00 13.27 2.85 7 V C C 120.12 1.63 5.73 9.10 113.59 -162.62 -105.65 127.99 87.55 7.97 4.48 79.28 5.13 3.24 2.46 1.81 0.00 6.04 2.04 8 K C C 176.14 0.55 7.28 7.96 107.78 -139.46 -88.22 79.72 88.62 3.33 8.05 64.07 12.43 12.32 4.70 3.19 0.00 2.43 0.84 9 S C C 96.17 0.94 6.85 8.74 111.73 19.87 -93.46 114.00 86.66 4.54 8.81 60.22 14.32 12.37 5.26 3.38 0.01 3.57 0.89 10 V C C 116.07 1.71 6.08 9.58 117.66 -145.16 -104.71 130.54 77.72 16.24 6.04 67.40 5.92 3.54 4.18 1.97 0.01 15.20 1.77 11 I C C 137.38 1.43 7.20 10.32 117.59 -160.01 -107.75 131.63 67.85 27.93 4.22 61.35 3.59 1.81 3.32 1.14 0.01 26.41 2.38 12 Y C C 167.08 2.23 7.51 11.84 120.90 -167.39 -112.96 138.84 65.57 30.27 4.16 57.42 4.46 2.36 3.05 1.31 0.01 29.28 2.11 13 A C C 87.17 1.89 9.02 12.73 120.13 -160.90 -111.81 139.02 71.14 26.23 2.62 61.33 6.53 2.24 1.73 0.98 0.00 24.83 2.35 14 L C C 97.26 5.28 7.42 14.64 118.96 -152.31 -100.99 142.33 83.24 15.75 1.01 72.02 10.44 0.82 0.76 0.39 0.00 11.67 3.90 15 S C C 57.96 2.93 10.80 15.24 117.01 -108.83 -70.94 153.42 99.17 0.49 0.34 97.02 2.08 0.23 0.26 0.04 0.00 0.23 0.13 16 P H H 103.12 2.00 9.99 13.28 92.82 -109.52 -58.77 -34.48 18.81 0.17 81.02 3.34 2.41 12.40 68.39 13.24 0.05 0.09 0.08 17 F H H 153.80 1.04 10.91 11.85 93.64 54.17 -67.63 -33.42 16.28 0.20 83.52 2.23 1.78 11.34 68.31 16.05 0.09 0.11 0.08 18 Q H H 97.27 3.28 10.51 15.25 94.87 50.64 -72.94 -30.63 13.13 0.36 86.51 3.62 1.94 7.11 68.00 18.95 0.05 0.23 0.11 19 Q H H 88.16 4.95 9.49 16.31 94.54 61.83 -67.64 -36.07 14.43 0.49 85.08 5.74 2.80 6.73 74.49 9.71 0.07 0.28 0.18 20 K H H 144.17 1.45 12.30 13.93 93.68 56.23 -67.35 -35.05 24.25 0.65 75.10 5.62 3.76 15.26 62.94 11.61 0.13 0.39 0.28 21 V H H 102.05 1.54 11.71 13.43 93.86 51.61 -70.97 -35.45 28.62 0.98 70.40 5.82 4.25 19.09 58.85 10.76 0.22 0.59 0.41 22 M H H 105.40 3.45 10.34 15.23 97.54 47.31 -84.69 -15.95 37.80 1.83 60.37 15.42 9.27 15.73 48.51 9.09 0.17 0.91 0.91 23 T H H 79.46 3.73 10.46 15.87 101.23 87.51 -66.99 -18.61 44.29 1.28 54.43 13.38 5.92 24.83 39.13 15.28 0.10 0.70 0.66 24 G H H 47.11 2.43 12.23 15.38 96.36 43.92 -28.12 -24.58 45.35 0.64 54.00 8.37 6.00 29.58 31.85 23.36 0.10 0.33 0.40 25 L H H 107.96 2.13 10.76 13.87 93.80 64.68 -67.81 -33.91 39.14 0.93 59.93 8.57 6.43 22.60 33.13 28.17 0.13 0.48 0.49 26 W H H 157.49 3.17 10.01 14.61 96.73 50.63 -81.26 -17.48 37.22 2.66 60.12 10.95 6.53 19.22 31.40 29.18 0.17 1.41 1.15 27 K C T 138.97 2.25 11.48 14.87 95.42 76.24 -68.82 -30.41 54.18 1.44 44.38 9.15 8.01 35.16 25.80 20.14 0.16 0.78 0.79 28 D C T 103.62 1.99 11.71 14.34 98.68 47.19 -89.48 1.96 60.23 0.60 39.18 11.52 7.95 39.72 24.14 15.89 0.05 0.28 0.44 29 L H H 87.82 4.26 9.83 15.87 98.15 96.21 -70.29 -37.47 36.65 0.41 62.94 21.10 9.34 7.23 56.14 5.83 0.01 0.16 0.20 30 P H H 82.13 2.30 12.46 15.41 95.62 53.22 -66.55 -36.49 29.78 0.44 69.79 16.54 4.02 10.08 63.17 5.76 0.01 0.23 0.18 31 T H H 79.35 2.63 12.41 15.91 94.65 52.87 -69.06 -36.19 21.59 0.49 77.92 10.17 3.61 9.05 70.26 6.41 0.03 0.28 0.19 32 K H H 115.92 2.66 12.31 15.94 94.39 54.37 -67.84 -38.50 15.44 0.45 84.11 8.04 3.01 5.84 78.18 4.50 0.02 0.26 0.15 33 I H H 98.92 2.18 12.78 15.50 93.33 51.89 -66.23 -40.62 9.98 0.43 89.59 4.93 1.83 4.23 85.04 3.54 0.03 0.29 0.12 34 H H H 117.55 1.99 13.16 15.49 92.66 51.00 -66.12 -39.69 7.74 0.34 91.92 3.30 1.27 3.77 87.15 4.13 0.03 0.26 0.08 35 H H H 111.99 2.32 13.02 15.97 93.51 49.58 -66.94 -38.86 9.66 0.35 89.99 2.96 1.51 5.63 84.48 5.00 0.06 0.26 0.10 36 K H H 119.58 2.37 12.87 15.89 93.46 50.19 -68.69 -37.08 15.30 0.41 84.29 3.37 2.18 10.17 79.28 4.48 0.11 0.27 0.15 37 V H H 83.91 2.91 12.00 15.91 95.81 49.97 -74.62 -32.98 23.10 0.79 76.11 6.74 4.44 13.55 70.40 3.94 0.15 0.43 0.34 38 S H H 66.04 2.67 12.66 16.13 95.85 56.10 -69.13 -37.82 24.06 0.64 75.30 7.67 4.05 13.43 65.28 8.81 0.11 0.38 0.27 39 E H H 132.00 1.80 13.37 15.32 95.15 49.90 -73.86 -25.01 34.39 0.27 65.34 3.30 3.73 26.55 56.51 9.46 0.14 0.14 0.17 40 N H H 84.35 4.33 11.12 16.98 100.72 51.91 -93.46 4.61 40.74 0.25 59.01 6.60 3.96 29.62 51.32 8.15 0.06 0.12 0.18 41 W H H 152.24 2.91 12.29 16.43 93.74 94.83 -63.77 -40.31 11.34 0.14 88.52 4.21 2.12 5.70 83.61 4.21 0.02 0.08 0.06 42 I H H 108.98 1.58 14.55 15.68 92.79 51.06 -65.32 -40.68 7.14 0.08 92.78 1.54 0.86 4.76 87.89 4.84 0.02 0.05 0.03 43 S H H 57.26 2.75 14.00 17.55 92.37 50.26 -65.73 -40.33 6.32 0.07 93.61 1.44 0.72 4.12 88.56 5.08 0.02 0.05 0.03 44 A H H 52.65 3.34 13.39 18.06 92.17 51.19 -64.60 -41.02 3.79 0.04 96.17 0.99 0.50 2.23 92.84 3.40 0.01 0.02 0.01 45 T H H 75.64 2.33 14.49 17.16 92.20 50.37 -65.34 -40.83 2.14 0.02 97.84 0.35 0.20 1.43 93.90 4.09 0.00 0.01 0.00 46 L H H 103.10 1.87 14.87 16.62 92.44 50.25 -65.74 -40.16 3.04 0.01 96.95 0.20 0.17 2.53 91.25 5.82 0.01 0.01 0.00 47 L H H 102.41 2.17 14.69 17.06 92.94 48.70 -67.09 -37.54 9.96 0.02 90.02 0.31 0.39 9.55 83.74 5.97 0.02 0.01 0.01 48 L H H 95.37 2.70 14.77 17.93 93.64 48.48 -71.59 -33.26 12.71 0.03 87.26 0.47 0.75 11.75 84.57 2.39 0.04 0.01 0.02 49 G H H 36.67 2.91 14.08 17.90 92.18 60.82 -62.45 -43.02 4.44 0.01 95.54 0.62 0.47 3.16 91.97 3.75 0.00 0.01 0.01 50 P H H 81.30 2.06 15.50 17.42 92.37 49.37 -65.20 -40.63 3.26 0.01 96.73 0.31 0.20 2.57 92.41 4.50 0.00 0.01 0.00 51 L H H 96.98 2.05 15.69 17.58 92.50 49.54 -65.31 -41.41 1.51 0.01 98.48 0.18 0.11 1.08 95.22 3.39 0.00 0.01 0.00 52 V H H 84.23 2.25 15.82 18.04 92.19 49.81 -64.85 -41.64 0.63 0.00 99.37 0.10 0.05 0.37 99.23 0.24 0.00 0.00 0.00 53 G H H 36.08 2.71 15.18 18.41 92.01 50.76 -63.73 -42.09 0.57 0.00 99.43 0.10 0.04 0.32 99.43 0.11 0.00 0.00 0.00 54 T H H 75.12 2.12 16.06 18.01 92.06 49.43 -64.45 -41.68 0.27 0.00 99.73 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 55 Y H H 127.38 2.21 16.18 18.32 92.16 49.49 -64.61 -41.84 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 56 A H H 53.40 2.92 15.39 18.80 91.82 50.39 -63.98 -41.94 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.03 0.00 0.00 0.00 57 Y H H 128.06 1.99 16.01 17.66 92.09 49.64 -64.33 -41.74 0.28 0.00 99.72 0.02 0.01 0.19 99.75 0.03 0.00 0.00 0.00 58 V H H 76.92 2.20 15.28 17.61 91.98 49.67 -64.52 -41.88 0.29 0.00 99.71 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 59 Q H H 100.17 2.06 15.82 17.73 91.85 50.15 -64.42 -41.04 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 60 N H H 84.29 2.24 15.29 17.59 92.12 50.03 -64.95 -40.84 0.31 0.00 99.69 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 61 Y H H 123.67 2.01 15.26 17.13 91.89 49.85 -64.29 -41.78 0.28 0.00 99.72 0.03 0.02 0.19 99.72 0.05 0.00 0.00 0.00 62 L H H 89.74 2.10 14.69 16.98 92.05 49.87 -64.38 -41.30 0.40 0.00 99.60 0.05 0.02 0.25 99.60 0.08 0.00 0.00 0.00 63 E H H 101.22 1.93 14.28 16.30 91.86 50.16 -64.18 -41.18 0.79 0.00 99.21 0.09 0.05 0.54 99.16 0.17 0.00 0.00 0.00 64 K H H 119.25 1.49 14.13 15.21 91.98 49.93 -64.83 -40.49 1.68 0.00 98.32 0.20 0.11 1.17 98.11 0.41 0.00 0.00 0.00 65 E H H 99.16 1.80 12.79 14.94 91.70 51.02 -64.59 -40.20 4.27 0.01 95.72 0.67 0.36 2.90 94.96 1.10 0.00 0.00 0.00 66 K H H 120.59 1.55 11.95 13.74 92.01 50.81 -65.54 -38.95 9.96 0.04 90.00 1.81 0.89 6.85 87.49 2.91 0.01 0.02 0.02 67 L H H 104.21 1.49 10.56 12.53 92.40 51.44 -66.80 -37.52 14.57 0.14 85.28 4.56 1.96 8.07 78.01 7.24 0.02 0.07 0.07 68 H H H 141.04 1.08 10.21 11.44 93.51 53.02 -69.50 -30.92 25.75 0.31 73.94 6.19 3.17 16.04 64.82 9.43 0.04 0.15 0.15 69 H H H 144.48 1.19 8.37 10.21 97.75 51.96 -80.89 -14.54 46.82 0.86 52.32 13.15 5.85 28.05 43.52 8.52 0.05 0.40 0.46 70 R C C 169.99 1.46 7.43 10.09 100.94 67.82 -84.02 0.18 74.35 0.90 24.76 53.26 2.30 18.95 20.59 3.93 0.00 0.40 0.57 71 Y C C 168.98 2.14 9.46 13.04 105.47 73.57 -88.42 48.68 99.91 0.04 0.05 99.76 0.09 0.10 0.02 0.00 0.00 0.02 0.01