# 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 121.50 4.54 9.61 15.93 115.70 -167.59 -91.48 137.51 99.93 0.05 0.02 99.77 0.14 0.04 0.01 0.00 0.00 0.02 0.01 1 S C C 83.96 2.26 8.99 12.87 113.07 -118.93 -80.10 146.13 95.69 0.71 3.60 91.86 1.01 3.71 1.64 1.07 0.00 0.34 0.38 2 S C C 89.70 1.82 8.59 12.00 111.66 -114.03 -83.86 133.40 90.14 2.15 7.71 67.00 15.05 8.11 2.91 4.65 0.00 1.10 1.20 3 K C C 149.57 2.52 8.27 12.59 110.38 -131.38 -90.60 116.87 86.25 3.62 10.14 67.73 9.95 8.32 3.05 7.16 0.00 1.99 1.81 4 I C C 117.26 3.43 8.16 13.40 110.43 -158.32 -92.95 121.32 86.85 3.74 9.42 48.63 13.56 25.20 2.83 6.00 0.01 1.99 1.78 5 G C C 54.07 2.49 10.63 14.39 105.57 35.77 72.88 12.90 88.73 2.57 8.70 39.06 21.81 28.56 2.40 5.66 0.00 1.19 1.31 6 F C C 102.08 4.67 8.84 15.53 113.92 120.59 -91.92 126.25 91.55 1.48 6.97 60.58 27.57 3.21 5.52 1.51 0.00 0.46 1.14 7 Q H H 125.36 1.88 11.09 13.94 93.70 -135.86 -62.20 -35.89 45.57 0.34 54.09 6.63 6.28 32.48 48.84 5.30 0.09 0.16 0.21 8 W H H 150.90 2.46 11.67 15.10 93.15 54.34 -67.37 -35.45 34.00 0.27 65.74 5.00 3.68 25.41 59.75 5.80 0.08 0.13 0.16 9 E H H 82.21 4.79 11.50 18.15 93.11 53.62 -65.65 -40.03 8.84 0.17 90.99 3.71 1.49 4.05 82.75 7.83 0.01 0.10 0.06 10 K H H 113.67 2.94 13.44 17.44 92.29 52.03 -65.16 -40.14 5.51 0.14 94.36 2.16 0.85 2.77 86.19 7.89 0.01 0.09 0.04 11 Y H H 129.13 2.47 14.39 17.21 93.06 49.70 -68.12 -37.66 6.41 0.15 93.44 1.90 0.90 3.68 85.15 8.21 0.02 0.10 0.04 12 E H H 86.05 4.09 13.52 18.99 93.54 51.28 -69.33 -32.99 11.39 0.30 88.31 3.31 1.63 6.77 78.58 9.39 0.04 0.19 0.10 13 A H H 46.28 5.15 11.98 19.18 92.38 65.36 -64.02 -39.40 15.89 0.36 83.75 3.61 1.84 9.44 61.20 23.51 0.05 0.23 0.12 14 W H H 144.33 3.62 12.90 17.83 93.05 54.10 -68.65 -29.59 26.37 0.49 73.15 4.15 2.55 17.61 46.57 28.50 0.10 0.28 0.22 15 R H H 144.50 3.05 12.94 17.03 94.08 57.28 -76.69 -20.08 42.27 1.32 56.41 10.57 6.37 24.35 30.88 26.33 0.13 0.69 0.68 16 Y C C 142.55 3.67 11.65 16.56 100.61 53.85 -94.91 -6.11 68.41 2.75 28.84 34.89 16.55 17.97 16.88 10.75 0.04 1.09 1.83 17 H C C 96.09 5.26 9.43 16.66 113.47 92.87 -91.42 128.01 86.50 1.15 12.34 60.65 21.38 4.09 10.57 2.10 0.00 0.39 0.83 18 P C H 84.92 3.05 11.45 15.87 101.05 -120.53 -65.62 -19.02 56.73 0.82 42.45 32.35 8.49 16.48 32.55 9.27 0.01 0.40 0.44 19 L H H 108.15 2.47 11.01 14.51 95.51 57.49 -68.19 -34.49 44.87 1.08 54.05 23.25 7.44 15.34 41.49 11.39 0.03 0.56 0.50 20 L H H 92.25 3.48 10.52 15.34 95.08 55.02 -70.07 -34.90 38.08 1.24 60.67 24.54 5.84 8.92 47.23 12.31 0.01 0.66 0.48 21 R H H 135.12 2.89 11.66 15.64 93.91 57.53 -67.91 -37.05 37.73 0.90 61.37 27.20 4.91 7.06 51.81 8.20 0.01 0.47 0.34 22 F H H 124.97 2.40 11.98 15.23 94.81 52.33 -69.05 -36.94 32.60 0.78 66.62 20.66 5.05 8.49 57.10 7.98 0.01 0.41 0.30 23 N H H 94.36 2.61 11.62 15.27 95.55 53.07 -68.73 -35.03 32.28 0.69 67.03 19.41 4.82 9.55 57.27 8.28 0.02 0.37 0.29 24 K H H 123.42 2.70 11.46 15.23 93.49 57.17 -68.40 -33.80 25.28 0.63 74.10 11.75 4.32 10.23 59.93 13.13 0.04 0.35 0.26 25 N H H 97.08 3.45 10.79 15.68 94.61 56.51 -73.16 -28.52 25.42 0.52 74.06 7.10 3.98 13.60 54.56 20.15 0.10 0.28 0.24 26 T H H 89.29 2.91 11.09 15.21 98.52 54.21 -79.42 -26.02 37.05 0.44 62.51 5.96 4.94 24.11 44.66 19.69 0.12 0.21 0.30 27 M H H 133.94 1.67 11.81 13.83 98.36 52.54 -79.59 -27.19 48.72 0.66 50.62 7.33 9.67 31.19 35.97 14.81 0.20 0.29 0.55 28 F C S 120.06 3.87 10.41 15.86 108.94 33.14 -118.61 82.62 89.85 1.42 8.73 30.94 54.00 4.60 7.48 1.35 0.01 0.36 1.25 29 P C T 81.60 4.24 11.83 17.79 109.28 -148.96 -66.35 137.85 82.77 0.71 16.53 22.29 9.28 51.26 12.94 3.49 0.00 0.31 0.43 30 G C T 43.38 4.99 13.70 19.82 98.65 20.36 78.17 -4.21 67.89 0.62 31.49 17.23 7.96 42.03 28.12 3.99 0.02 0.24 0.41 31 V H H 84.27 4.73 12.87 18.94 94.98 101.65 -66.79 -38.03 18.23 0.16 81.61 6.77 4.08 8.47 78.48 2.01 0.03 0.06 0.10 32 G H H 41.40 2.88 15.43 18.78 93.44 52.12 -63.92 -42.31 8.20 0.06 91.74 2.55 1.30 4.47 90.62 1.00 0.01 0.02 0.03 33 L H H 94.47 2.65 16.27 19.09 92.67 48.58 -66.24 -41.06 1.37 0.01 98.62 0.38 0.15 0.73 98.38 0.36 0.00 0.00 0.00 34 G H H 27.15 6.14 14.50 22.39 92.13 51.72 -63.81 -41.95 0.41 0.00 99.59 0.09 0.03 0.21 99.55 0.11 0.00 0.00 0.00 35 A H H 56.44 3.79 16.85 21.20 92.20 50.05 -64.61 -41.99 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.03 0.00 0.00 0.00 36 A H H 60.33 2.23 17.92 19.66 91.80 49.92 -64.41 -41.98 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 37 A H H 52.84 3.65 16.80 21.20 91.85 50.30 -64.13 -42.15 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 38 F H H 101.62 4.83 16.81 22.34 92.07 49.83 -64.84 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 39 A H H 57.71 2.72 17.12 19.94 91.59 51.16 -63.71 -41.91 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 40 V H H 84.59 2.03 17.47 18.91 91.68 50.10 -64.03 -41.91 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 41 Y H H 111.73 4.16 16.21 21.27 92.00 49.67 -64.57 -41.92 0.14 0.00 99.86 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 42 Y H H 112.73 4.11 15.64 20.59 91.95 49.30 -64.65 -42.02 0.30 0.00 99.70 0.01 0.01 0.26 99.68 0.04 0.00 0.00 0.00 43 V H H 83.28 1.84 16.26 17.54 91.63 49.95 -63.80 -42.35 0.43 0.00 99.57 0.02 0.02 0.34 99.54 0.08 0.00 0.00 0.00 44 V H H 78.92 2.24 15.14 17.55 91.81 49.07 -64.38 -42.15 0.55 0.00 99.45 0.05 0.03 0.40 99.29 0.22 0.00 0.00 0.00 45 D H H 66.17 4.94 12.66 19.17 92.38 49.47 -65.22 -40.05 1.17 0.00 98.82 0.12 0.07 0.88 98.49 0.43 0.00 0.00 0.00 46 T H H 86.09 2.45 12.92 16.08 92.80 48.71 -67.44 -37.18 3.66 0.01 96.34 0.19 0.19 3.15 95.78 0.68 0.00 0.00 0.00 47 L H H 122.67 1.13 12.68 13.31 94.03 48.31 -72.11 -31.90 11.17 0.03 88.79 0.67 0.97 9.36 88.15 0.80 0.02 0.01 0.02 48 S H H 76.70 2.10 10.88 13.81 99.14 45.04 -87.36 -10.27 39.77 0.77 59.47 8.08 10.80 22.54 56.20 1.50 0.13 0.22 0.53 49 G C C 45.77 3.89 9.65 15.17 107.24 64.27 12.35 15.26 82.99 1.19 15.83 44.88 16.98 21.46 11.30 4.15 0.00 0.52 0.71 50 D C C 102.15 2.93 9.39 13.92 107.37 93.37 -82.42 105.68 84.14 1.26 14.61 57.09 14.61 12.48 7.90 6.53 0.00 0.59 0.80 51 K C C 147.77 2.43 8.86 12.84 102.83 89.05 -84.67 5.03 81.85 1.33 16.83 49.90 16.20 15.83 6.30 10.35 0.00 0.62 0.80 52 S C C 83.97 2.22 8.38 12.10 107.63 82.43 -87.38 79.54 85.09 1.28 13.64 48.73 16.44 19.92 3.60 9.99 0.00 0.63 0.67 53 H C C 146.85 2.13 7.69 11.45 106.71 96.49 -91.69 51.78 90.96 1.03 8.00 74.31 3.84 13.57 2.19 4.99 0.00 0.61 0.51 54 H C C 135.55 3.25 9.31 14.34 109.20 106.19 -93.09 102.04 99.81 0.12 0.08 99.44 0.25 0.18 0.02 0.02 0.00 0.06 0.02