# 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 112.47 5.22 9.98 16.92 113.41 -156.03 -93.68 130.77 99.93 0.05 0.02 99.83 0.09 0.05 0.01 0.00 0.00 0.02 0.01 1 N C C 114.98 2.35 9.23 13.08 108.94 -148.19 -90.14 107.00 90.19 2.20 7.61 84.18 1.21 6.02 4.22 2.16 0.00 1.21 1.00 2 Q C C 128.04 2.60 8.41 12.53 99.65 109.03 -78.23 -13.68 77.75 5.10 17.15 45.39 12.57 20.50 9.06 7.52 0.02 3.08 1.86 3 G C C 46.77 3.24 8.89 13.55 98.31 64.45 -72.01 -19.07 72.90 6.77 20.33 42.83 13.08 17.35 11.32 8.93 0.02 4.68 1.79 4 R C C 151.18 2.39 9.59 13.36 97.76 71.81 -74.37 -26.08 57.75 15.04 27.22 39.87 9.82 7.76 16.85 11.03 0.06 11.86 2.75 5 I H C 115.89 2.47 9.15 13.05 94.19 64.56 -70.84 -30.39 37.27 20.97 41.76 22.70 7.89 8.01 21.21 19.46 0.12 18.56 2.04 6 W H E 176.02 2.44 9.45 13.28 96.71 56.12 -82.11 -13.97 33.47 25.52 41.01 20.01 6.65 8.30 19.08 19.92 0.11 24.20 1.74 7 T H E 93.16 2.82 9.46 13.83 100.41 68.17 -84.37 -4.57 32.91 30.34 36.75 20.66 6.38 7.63 18.11 17.07 0.11 28.08 1.97 8 V E E 113.34 1.85 10.65 13.44 102.69 60.87 -88.29 -7.29 40.93 44.85 14.22 27.11 9.00 5.36 10.97 4.52 0.18 37.09 5.76 9 V C C 78.64 5.73 8.66 16.32 120.46 76.93 -107.60 137.18 57.85 39.64 2.51 43.24 12.94 1.24 2.16 0.77 0.02 29.78 9.85 10 K C C 129.06 2.57 13.22 16.71 110.70 -113.93 -77.74 126.91 98.11 1.53 0.36 95.72 2.39 0.27 0.25 0.06 0.00 1.09 0.22 11 P H T 79.98 6.78 9.04 17.56 94.70 -132.49 -61.77 -26.96 48.07 0.60 51.32 10.30 4.77 31.44 28.17 24.62 0.03 0.34 0.34 12 T H T 98.59 1.84 12.55 14.87 93.96 60.22 -70.64 -29.09 46.37 0.51 53.12 4.75 5.22 33.91 28.70 26.70 0.10 0.26 0.36 13 V H T 94.89 2.07 12.90 15.32 97.47 45.24 -78.32 -32.11 49.24 0.85 49.91 4.34 7.75 34.90 24.65 27.05 0.22 0.42 0.68 14 G H H 31.55 4.76 11.71 18.23 97.38 48.49 -73.13 -35.57 46.90 1.35 51.75 12.16 8.13 27.65 40.19 10.18 0.22 0.59 0.89 15 L H H 84.01 3.97 11.95 17.59 92.46 60.74 -63.93 -41.67 7.97 0.08 91.95 4.44 1.53 2.23 90.88 0.86 0.00 0.03 0.03 16 P H H 80.19 2.44 13.82 16.85 91.98 51.66 -64.27 -39.93 2.60 0.03 97.37 0.89 0.29 1.31 96.58 0.91 0.01 0.01 0.01 17 L H H 105.97 1.65 14.66 16.07 92.14 49.96 -65.67 -39.90 0.97 0.01 99.02 0.26 0.10 0.53 98.28 0.83 0.00 0.01 0.00 18 L H H 89.24 3.25 13.92 18.20 92.41 49.67 -65.59 -40.51 0.58 0.01 99.42 0.14 0.05 0.31 99.14 0.36 0.00 0.00 0.00 19 L H H 90.42 3.24 14.17 18.49 92.01 50.38 -64.96 -41.08 0.35 0.00 99.64 0.06 0.03 0.20 99.61 0.09 0.00 0.00 0.00 20 G H H 39.91 1.87 15.33 16.94 91.87 50.90 -63.99 -41.24 0.37 0.00 99.62 0.06 0.02 0.23 99.64 0.06 0.00 0.00 0.00 21 S H H 61.93 2.00 15.60 17.34 92.21 50.18 -65.15 -40.99 0.32 0.00 99.68 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 22 V H H 77.48 3.61 14.51 19.19 92.33 49.86 -65.33 -41.35 0.13 0.00 99.87 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 23 T H H 74.56 2.81 15.28 18.67 91.82 50.26 -64.64 -41.53 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 24 V H H 90.24 1.48 16.95 17.13 91.85 49.62 -64.55 -41.76 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 I H H 88.60 2.62 16.13 18.97 91.81 49.42 -64.43 -41.52 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 26 A H H 45.15 5.58 13.91 21.32 91.68 51.22 -63.27 -41.48 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 27 I H H 99.16 2.23 16.69 18.75 91.77 50.19 -64.52 -41.19 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 28 L H H 97.65 1.64 17.00 17.64 91.86 49.94 -64.84 -41.72 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.02 0.00 0.00 0.00 29 V H H 71.18 4.46 15.40 20.97 91.91 49.26 -64.55 -42.30 0.19 0.00 99.81 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 30 H H H 89.77 5.60 14.87 21.76 91.71 50.38 -63.73 -41.27 0.26 0.00 99.74 0.02 0.01 0.19 99.66 0.12 0.00 0.00 0.00 31 F H H 120.14 1.75 16.81 17.78 91.79 50.05 -64.32 -41.01 0.33 0.00 99.67 0.02 0.01 0.26 99.56 0.15 0.00 0.00 0.00 32 A H H 53.29 2.86 15.16 18.71 91.84 51.17 -64.31 -41.15 0.93 0.00 99.06 0.07 0.05 0.75 98.75 0.37 0.00 0.00 0.00 33 V H H 62.24 6.87 12.28 20.73 92.38 49.80 -65.90 -40.11 2.93 0.02 97.05 0.20 0.19 2.49 96.24 0.84 0.01 0.01 0.01 34 L H H 102.90 3.50 13.27 18.01 92.53 50.92 -68.65 -32.21 9.89 0.04 90.07 0.67 0.73 8.38 88.96 1.20 0.03 0.01 0.02 35 S H H 86.23 1.18 13.97 14.50 96.43 50.17 -83.91 -18.15 39.28 0.20 60.53 3.05 4.17 31.29 59.63 1.59 0.05 0.07 0.13 36 N C C 95.93 3.75 11.70 16.84 105.86 49.48 -105.73 66.14 77.47 0.91 21.62 31.82 18.18 26.96 19.73 2.39 0.01 0.32 0.60 37 T C C 73.46 6.73 10.17 18.51 102.87 132.62 -83.05 3.13 77.40 1.33 21.27 46.93 17.71 12.79 15.98 5.19 0.00 0.53 0.86 38 T C C 97.40 2.27 14.41 17.12 96.43 67.48 -77.06 -20.16 65.91 1.19 32.91 26.18 18.19 22.49 24.99 6.92 0.03 0.52 0.68 39 W H H 111.85 6.67 12.43 20.68 94.49 64.34 -71.06 -31.84 47.66 2.47 49.87 20.16 9.68 20.06 39.53 7.96 0.15 1.09 1.38 40 F H H 79.26 8.34 12.19 22.00 93.38 59.82 -65.68 -38.62 17.82 0.83 81.35 8.80 4.08 7.05 73.15 6.06 0.07 0.49 0.30 41 S H H 53.26 3.31 14.38 18.89 92.37 56.06 -63.22 -39.65 10.29 0.34 89.37 3.07 1.74 6.05 80.86 7.85 0.09 0.24 0.10 42 K H H 108.23 3.16 14.79 18.71 92.72 51.09 -66.40 -38.65 7.69 0.26 92.04 1.77 1.11 5.04 82.37 9.37 0.08 0.19 0.07 43 Y H H 98.74 7.50 12.27 21.16 93.71 48.34 -68.30 -39.67 8.13 0.28 91.59 1.69 1.18 5.52 81.83 9.39 0.10 0.20 0.09 44 W H H 146.73 4.89 13.02 19.14 95.12 43.62 -75.83 -29.36 19.80 0.43 79.77 2.38 2.60 15.23 71.13 7.85 0.34 0.24 0.22 45 N C T 110.46 1.85 13.79 15.71 97.45 42.49 -92.27 -1.12 57.38 0.58 42.03 3.99 7.67 44.94 38.23 4.34 0.15 0.24 0.43 46 G C T 47.94 4.52 11.27 17.34 99.78 -113.22 78.14 5.65 85.82 0.71 13.47 20.07 17.26 48.77 9.04 4.12 0.01 0.32 0.41 47 K C C 130.83 3.04 12.92 17.25 109.37 105.30 -87.46 116.38 69.15 1.39 29.46 42.16 16.03 11.22 21.68 7.54 0.01 0.61 0.74 48 A C C 61.00 6.68 10.93 18.98 102.06 53.00 -73.85 -11.43 54.73 2.06 43.21 37.00 9.94 8.49 33.95 8.72 0.01 1.11 0.80 49 A H H 66.72 4.70 12.50 18.57 104.01 78.81 -81.29 6.39 44.74 3.26 52.00 31.26 7.82 6.91 41.86 9.16 0.03 2.07 0.90 50 A H H 70.42 4.07 12.04 17.47 106.40 59.08 -84.11 71.19 41.37 5.93 52.70 30.69 5.99 6.01 43.96 7.67 0.03 4.43 1.21 51 I H H 104.43 5.56 10.27 17.29 104.39 56.82 -92.95 19.25 38.06 8.43 53.51 28.50 5.76 5.58 46.18 5.88 0.04 6.54 1.52 52 E H H 135.47 2.82 10.90 15.31 111.59 62.60 -93.33 119.21 41.55 7.42 51.03 30.22 6.02 6.45 45.45 4.70 0.03 5.86 1.27 53 S C H 81.01 2.98 9.51 14.19 113.94 72.77 -93.41 133.99 47.82 6.20 45.98 31.11 7.82 9.65 40.48 4.99 0.04 4.72 1.18 54 S C H 89.33 1.92 9.18 12.56 108.50 -138.55 -93.00 84.40 54.35 6.70 38.94 32.57 10.42 11.92 33.40 5.30 0.05 5.00 1.33 55 V C C 111.43 2.61 7.74 12.25 114.24 97.16 -98.98 127.09 60.29 9.23 30.48 36.26 12.82 11.33 26.07 4.77 0.08 6.85 1.82 56 S C C 88.24 1.95 8.29 11.99 115.46 -147.26 -93.13 131.19 70.12 11.03 18.85 50.67 7.63 10.56 16.24 3.76 0.03 8.67 2.44 57 I C C 136.05 2.07 7.31 11.24 111.94 -152.64 -96.30 122.29 87.45 5.86 6.68 80.73 1.33 5.49 5.86 0.92 0.00 4.13 1.55 58 G C C 55.07 2.25 11.64 15.15 116.05 -31.57 -100.61 164.86 99.88 0.11 0.01 99.79 0.09 0.05 0.01 0.00 0.00 0.07 0.01