# 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 111.23 5.32 9.64 16.70 113.07 -154.90 -94.05 130.45 99.92 0.05 0.03 99.81 0.09 0.06 0.01 0.00 0.00 0.02 0.01 1 N C C 116.34 2.06 9.16 12.64 109.67 -150.25 -90.42 111.94 88.07 2.20 9.72 80.23 1.40 7.69 5.59 2.84 0.00 1.33 0.92 2 Q C C 130.62 2.27 8.03 11.80 98.78 72.65 -78.28 -14.10 74.62 6.10 19.29 44.73 13.61 16.85 10.69 8.30 0.02 3.99 1.81 3 A C C 74.43 2.81 8.25 12.57 98.23 75.13 -74.06 -15.91 68.62 10.04 21.34 45.76 11.07 11.68 12.50 9.11 0.02 8.03 1.83 4 R C C 153.10 2.30 9.27 13.01 98.19 64.10 -74.47 -27.25 55.14 19.80 25.06 40.89 7.68 6.21 15.92 9.56 0.04 17.25 2.45 5 I C C 118.36 2.45 8.74 12.66 95.64 64.25 -71.40 -29.02 39.11 25.83 35.06 26.08 7.28 6.28 19.61 14.67 0.08 24.08 1.92 6 W C E 181.39 2.15 9.27 12.71 97.33 57.69 -82.74 -11.10 34.43 31.18 34.39 21.57 6.85 7.04 17.41 15.19 0.10 30.14 1.69 7 T E E 93.12 2.89 9.22 13.75 100.84 68.08 -84.86 -3.07 32.23 38.10 29.67 21.63 5.84 6.25 16.04 12.44 0.09 35.86 1.86 8 V E E 113.47 1.91 10.38 13.41 102.94 65.82 -88.96 -4.95 37.32 52.75 9.93 26.33 7.33 3.91 7.95 3.09 0.10 45.98 5.30 9 V C C 79.03 5.79 8.64 16.37 120.85 80.72 -108.59 138.10 52.80 45.06 2.14 41.07 10.03 1.00 1.87 0.66 0.02 36.38 8.97 10 K C C 129.37 2.55 13.22 16.71 111.06 -111.98 -77.86 127.50 97.82 1.86 0.32 95.49 2.34 0.26 0.22 0.06 0.00 1.40 0.23 11 P H T 80.31 6.76 9.04 17.53 94.82 -131.05 -61.84 -27.15 48.70 0.64 50.67 10.12 4.88 32.08 27.93 24.24 0.03 0.36 0.35 12 T H T 98.91 1.83 12.50 14.83 94.06 60.72 -70.81 -28.81 47.14 0.52 52.34 4.69 5.31 34.60 28.58 26.08 0.10 0.26 0.37 13 V C T 95.03 2.09 12.82 15.28 97.95 45.33 -79.61 -32.25 49.95 0.87 49.18 4.32 7.86 35.51 24.62 26.34 0.23 0.43 0.69 14 G H H 31.74 4.75 11.70 18.20 97.85 48.04 -73.07 -35.61 46.80 1.38 51.83 12.05 8.13 27.72 40.78 9.59 0.23 0.60 0.90 15 L H H 84.17 3.92 11.97 17.55 92.57 59.86 -64.20 -41.55 7.81 0.08 92.11 4.35 1.48 2.19 91.09 0.83 0.00 0.03 0.03 16 P H H 79.48 2.52 13.77 16.93 92.10 51.67 -64.33 -40.01 2.54 0.03 97.43 0.89 0.29 1.25 96.68 0.85 0.01 0.01 0.01 17 L H H 105.88 1.67 14.64 16.10 92.14 50.03 -65.70 -39.93 0.91 0.01 99.08 0.25 0.09 0.49 98.41 0.74 0.00 0.01 0.00 18 L H H 89.94 3.15 13.97 18.09 92.38 49.71 -65.54 -40.62 0.54 0.00 99.45 0.13 0.05 0.29 99.19 0.32 0.00 0.00 0.00 19 L H H 90.47 3.19 14.19 18.43 92.03 50.31 -65.04 -41.04 0.36 0.00 99.64 0.06 0.03 0.21 99.60 0.10 0.00 0.00 0.00 20 G H H 39.70 1.91 15.28 16.99 91.86 50.88 -63.97 -41.25 0.39 0.00 99.61 0.06 0.02 0.24 99.62 0.06 0.00 0.00 0.00 21 S H H 61.82 2.01 15.59 17.35 92.19 50.25 -65.10 -41.05 0.34 0.00 99.66 0.04 0.02 0.21 99.69 0.04 0.00 0.00 0.00 22 V H H 77.78 3.51 14.56 19.10 92.33 49.86 -65.27 -41.43 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 23 T H H 74.48 2.78 15.28 18.64 91.85 50.20 -64.66 -41.54 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 24 V H H 89.87 1.51 16.90 17.18 91.85 49.59 -64.56 -41.70 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 88.62 2.59 16.09 18.89 91.85 49.36 -64.43 -41.70 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 45.85 5.35 13.98 21.13 91.65 51.19 -63.30 -41.64 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 27 I H H 98.90 2.22 16.62 18.69 91.82 50.25 -64.43 -41.26 0.13 0.00 99.87 0.01 0.00 0.10 99.88 0.01 0.00 0.00 0.00 28 L H H 97.42 1.65 16.91 17.59 91.85 49.95 -64.82 -41.71 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 29 V H H 71.93 4.24 15.38 20.69 91.88 49.25 -64.56 -42.23 0.18 0.00 99.82 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 30 H H H 89.92 5.46 14.77 21.54 91.70 50.55 -63.67 -41.20 0.25 0.00 99.75 0.02 0.01 0.18 99.69 0.10 0.00 0.00 0.00 31 F H H 119.74 1.78 16.62 17.72 91.81 50.16 -64.26 -41.00 0.33 0.00 99.67 0.02 0.01 0.25 99.57 0.14 0.00 0.00 0.00 32 A H H 54.04 2.74 15.12 18.48 91.86 51.18 -64.43 -41.16 0.95 0.00 99.05 0.07 0.05 0.78 98.75 0.36 0.00 0.00 0.00 33 V H H 63.71 6.34 12.37 20.33 92.58 49.80 -65.78 -40.11 3.08 0.01 96.91 0.20 0.19 2.62 96.10 0.85 0.01 0.01 0.00 34 L H H 99.94 3.65 13.06 18.02 92.47 50.48 -67.90 -32.92 10.25 0.04 89.71 0.72 0.76 8.69 88.40 1.37 0.03 0.02 0.02 35 S H H 84.39 1.29 13.85 14.66 95.93 50.76 -80.13 -19.05 38.70 0.18 61.12 3.02 3.83 31.16 59.96 1.79 0.05 0.06 0.12 36 H C T 123.85 3.01 12.05 16.21 103.96 43.01 -104.15 11.49 70.90 0.89 28.22 24.20 16.60 29.94 25.87 2.54 0.01 0.30 0.55 37 T C C 66.89 7.34 9.90 18.77 107.52 132.42 -86.51 81.34 80.84 1.48 17.69 53.11 17.09 10.28 13.83 4.16 0.00 0.59 0.94 38 T C C 98.19 2.27 14.19 16.97 96.25 64.47 -77.63 -18.44 67.66 1.33 31.01 29.92 18.81 19.82 23.86 6.25 0.03 0.57 0.75 39 W C H 119.07 5.92 12.56 20.05 94.49 64.29 -69.56 -31.13 49.78 2.84 47.38 21.74 10.51 19.66 37.98 7.21 0.13 1.26 1.52 40 F H H 79.69 8.16 12.08 21.71 93.61 58.78 -65.71 -37.13 18.75 0.94 80.31 9.43 4.30 7.25 71.84 6.22 0.08 0.56 0.34 41 S H H 52.37 3.46 13.99 18.82 92.33 56.47 -63.37 -39.81 10.53 0.35 89.11 3.23 1.79 6.07 80.12 8.34 0.08 0.25 0.10 42 K H H 111.00 2.93 14.67 18.28 92.87 51.18 -66.43 -38.61 7.86 0.26 91.88 1.81 1.13 5.09 81.74 9.87 0.08 0.19 0.07 43 Y H H 102.49 6.86 12.26 20.57 93.72 48.56 -68.37 -39.12 8.33 0.27 91.40 1.73 1.21 5.62 81.26 9.81 0.10 0.19 0.08 44 W H H 146.58 4.83 12.79 18.85 95.57 42.98 -77.19 -28.59 20.05 0.45 79.50 2.51 2.72 15.28 70.67 7.99 0.35 0.26 0.23 45 N C T 110.17 1.89 13.62 15.65 97.74 42.45 -92.42 -0.72 56.71 0.66 42.64 4.30 7.98 43.76 38.68 4.36 0.17 0.27 0.47 46 G C T 47.93 4.46 11.12 17.12 100.47 -113.77 77.61 5.31 85.84 0.83 13.33 21.96 18.06 46.24 8.50 4.40 0.01 0.37 0.47 47 K C C 134.00 2.86 12.67 16.78 107.81 101.26 -89.36 95.11 70.38 1.52 28.10 42.61 16.14 11.89 19.69 8.15 0.01 0.67 0.84 48 A C C 62.26 6.24 10.59 18.23 103.25 96.22 -74.78 -9.32 56.50 2.21 41.29 37.23 10.75 9.16 31.00 9.81 0.02 1.17 0.88 49 A C H 69.06 4.22 12.27 17.90 105.27 69.55 -82.68 33.85 48.35 3.61 48.04 32.90 8.81 7.56 37.28 10.11 0.03 2.27 1.04 50 A H H 71.21 4.01 11.67 17.10 109.00 54.55 -85.57 113.36 45.68 7.06 47.26 33.72 6.44 6.37 38.30 8.34 0.04 5.30 1.50 51 I H H 105.98 5.32 9.89 16.77 109.08 55.92 -94.86 107.81 42.25 10.27 47.47 31.70 6.29 5.60 40.46 5.94 0.05 8.06 1.90 52 E H H 136.28 2.72 10.49 14.83 111.68 59.02 -93.61 119.30 44.40 9.82 45.78 32.30 6.39 6.48 39.93 5.20 0.04 8.07 1.59 53 S C H 81.89 2.91 9.15 13.78 113.28 -136.53 -91.83 134.52 49.90 9.28 40.82 32.08 8.27 9.92 34.81 5.79 0.06 7.51 1.56 54 S C C 90.63 1.75 9.11 12.20 107.89 -141.52 -93.77 76.53 58.45 9.64 31.92 34.24 11.12 13.12 26.36 5.78 0.07 7.58 1.73 55 V C C 108.41 2.95 7.45 12.35 115.17 103.10 -98.41 128.62 66.58 12.57 20.84 40.61 14.88 11.00 17.13 4.36 0.08 9.66 2.28 56 N C C 126.01 1.71 8.88 12.18 113.28 -142.44 -94.42 123.84 76.44 13.71 9.86 58.16 8.28 8.94 7.68 2.77 0.01 11.42 2.75 57 V C C 116.49 2.51 7.21 11.75 111.87 -162.31 -97.90 121.56 90.51 7.41 2.07 87.31 1.20 2.53 1.45 0.42 0.00 5.52 1.57 58 G C C 54.78 2.24 11.93 15.31 114.05 -105.04 73.01 80.08 99.85 0.13 0.01 99.76 0.10 0.04 0.01 0.00 0.00 0.08 0.01