# 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 107.91 7.22 12.14 20.68 116.18 -158.67 -93.33 132.49 99.84 0.14 0.02 99.69 0.16 0.06 0.01 0.00 0.00 0.06 0.03 1 S C C 77.76 3.99 11.03 16.79 114.96 -143.96 -89.42 134.14 93.22 2.73 4.05 84.67 1.96 7.21 1.28 2.01 0.00 1.53 1.33 2 G C C 51.01 4.19 10.80 16.44 104.99 -72.68 60.30 0.81 88.99 3.86 7.15 47.73 20.45 21.04 1.56 5.46 0.00 1.88 1.88 3 F C C 136.80 4.65 9.96 16.20 110.59 89.50 -88.07 114.49 82.55 6.48 10.97 34.76 22.14 26.78 2.58 7.53 0.02 3.02 3.17 4 G C C 47.17 4.56 11.80 17.69 106.81 17.42 85.24 0.70 84.18 5.15 10.67 44.20 19.27 21.27 2.67 7.60 0.01 2.46 2.53 5 L C C 104.12 5.91 10.34 17.56 103.33 84.62 -84.16 6.97 80.04 5.41 14.55 36.32 19.16 25.72 3.94 9.56 0.02 2.56 2.72 6 Q C C 136.36 2.31 11.11 14.67 104.31 67.11 -92.73 21.66 81.04 5.87 13.08 32.20 21.33 28.71 3.71 8.27 0.03 2.76 2.99 7 S C S 77.78 3.88 10.35 15.80 110.57 87.59 -95.00 111.74 88.14 3.38 8.49 31.97 33.51 23.20 2.29 5.70 0.00 1.54 1.78 8 G C S 49.90 2.78 12.75 16.64 120.91 -10.16 95.81 -171.93 93.42 3.22 3.36 32.82 44.83 15.92 0.73 2.58 0.00 1.68 1.44 9 T C C 99.02 3.34 13.36 18.02 111.36 -27.79 -80.71 120.31 90.20 4.83 4.97 54.42 23.93 11.76 1.56 3.35 0.00 2.21 2.78 10 A C C 43.72 10.29 10.75 22.01 118.86 -134.13 -84.84 150.18 87.94 4.56 7.50 64.70 16.13 6.21 3.64 3.81 0.00 1.69 3.81 11 R C T 144.34 4.67 16.86 22.53 93.96 -117.30 -67.61 -23.76 89.10 0.78 10.12 4.19 11.77 73.36 5.01 4.62 0.02 0.39 0.63 12 C C T 24.95 16.49 12.28 28.85 97.14 51.77 -92.64 -0.43 85.63 0.22 14.16 5.81 6.20 73.55 10.43 3.71 0.00 0.09 0.20 13 Y H H 88.12 9.33 14.73 25.62 92.59 95.05 -60.50 -41.18 2.67 0.00 97.33 0.84 0.39 1.14 97.10 0.53 0.00 0.00 0.00 14 D H H 93.43 2.13 19.98 21.31 91.82 51.60 -65.00 -38.62 0.54 0.00 99.46 0.07 0.04 0.33 99.31 0.25 0.00 0.00 0.00 15 W H H 70.31 11.30 17.27 29.45 92.12 50.45 -65.25 -41.80 0.17 0.00 99.83 0.02 0.01 0.10 99.70 0.16 0.00 0.00 0.00 16 Y H H 48.43 15.32 15.99 31.50 92.19 51.22 -64.37 -42.00 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 17 M H H 90.10 3.97 20.83 24.93 91.74 50.51 -63.85 -40.98 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 18 D H H 67.29 5.01 20.79 26.24 91.82 50.38 -64.70 -41.18 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 19 Y H H 36.62 16.54 17.03 33.72 91.91 50.33 -64.69 -41.82 0.16 0.00 99.84 0.00 0.00 0.13 99.83 0.03 0.00 0.00 0.00 20 L H H 61.13 9.60 19.56 29.85 91.43 51.78 -63.26 -41.01 0.22 0.00 99.78 0.01 0.00 0.17 99.77 0.05 0.00 0.00 0.00 21 K H H 118.38 2.18 23.17 24.04 91.45 51.09 -64.04 -41.23 0.84 0.00 99.16 0.04 0.03 0.71 98.82 0.41 0.00 0.00 0.00 22 C H H 24.28 11.66 17.44 30.62 91.70 50.37 -64.60 -41.62 1.20 0.00 98.80 0.07 0.05 0.96 98.01 0.91 0.00 0.00 0.00 23 M H H 44.17 14.41 16.61 31.28 92.10 50.79 -64.53 -40.22 2.06 0.01 97.93 0.25 0.17 1.48 96.35 1.74 0.00 0.00 0.00 24 D H H 84.94 3.08 20.40 23.18 92.31 50.74 -65.80 -38.50 7.84 0.04 92.12 0.96 0.70 6.07 90.04 2.18 0.02 0.02 0.02 25 E H H 102.87 4.19 18.79 23.35 93.81 49.33 -72.83 -29.45 17.61 0.10 82.29 2.35 2.22 13.40 79.34 2.53 0.05 0.04 0.07 26 S H H 25.74 15.44 11.39 26.89 96.13 62.92 -79.16 -9.45 49.60 0.58 49.82 17.51 7.86 25.39 45.17 3.43 0.03 0.20 0.41 27 K C T 134.45 4.00 15.91 20.88 97.57 69.16 -86.91 -4.96 74.92 0.71 24.37 29.22 11.57 34.77 19.00 4.66 0.00 0.27 0.52 28 A C S 49.85 5.55 10.54 18.27 116.42 104.02 -82.12 145.32 91.16 0.58 8.26 39.03 43.67 8.23 5.97 2.29 0.00 0.16 0.65 29 P C T 109.15 1.79 12.05 14.55 96.70 -99.69 -64.72 -24.87 82.60 0.14 17.26 10.30 11.71 60.77 8.87 8.14 0.00 0.06 0.14 30 M C T 132.13 2.19 11.68 14.64 98.21 53.62 -82.61 -8.55 78.17 0.28 21.55 12.90 9.94 55.36 12.29 9.14 0.00 0.12 0.25 31 I C H 69.06 8.72 8.83 18.80 106.04 81.89 -87.20 76.36 56.56 0.74 42.70 30.00 19.46 8.57 35.93 5.29 0.01 0.23 0.50 32 T H H 95.74 1.92 14.69 16.59 95.40 14.11 -66.36 -35.58 33.54 0.39 66.08 15.40 6.00 12.96 59.61 5.63 0.02 0.18 0.20 33 L H H 87.66 3.19 15.40 19.22 94.21 53.12 -68.25 -37.26 25.02 0.33 74.65 11.33 3.70 10.67 68.77 5.19 0.02 0.16 0.16 34 R H H 63.31 11.86 12.66 25.53 92.74 56.58 -64.62 -40.35 11.11 0.15 88.74 6.08 1.74 3.69 84.68 3.66 0.00 0.07 0.07 35 K H H 98.55 8.46 16.07 25.43 91.82 52.81 -63.30 -40.52 4.98 0.06 94.96 2.08 0.73 2.31 91.67 3.16 0.01 0.04 0.02 36 Q H H 114.12 1.78 20.48 20.76 92.62 49.41 -66.18 -39.22 4.15 0.04 95.81 1.04 0.50 2.52 91.87 4.03 0.01 0.02 0.01 37 E H H 88.70 6.31 18.99 25.95 93.07 47.56 -69.10 -37.20 7.88 0.04 92.08 0.89 0.73 6.12 88.36 3.82 0.02 0.02 0.02 38 C H H 11.85 19.26 12.89 32.11 94.75 47.66 -78.32 -26.35 20.55 0.07 79.38 2.27 1.65 16.44 76.46 3.08 0.02 0.03 0.05 39 S H H 51.44 6.23 18.90 26.13 92.10 68.49 -61.00 -41.86 2.99 0.01 97.00 0.89 0.34 1.48 95.96 1.33 0.00 0.00 0.00 40 E H H 105.03 2.62 21.85 23.50 91.88 49.93 -64.90 -40.40 1.42 0.00 98.58 0.25 0.11 0.90 97.46 1.28 0.00 0.00 0.00 41 W H H 67.13 13.38 18.07 31.70 92.17 49.91 -65.46 -41.34 0.85 0.00 99.15 0.16 0.06 0.50 98.22 1.06 0.00 0.00 0.00 42 L H H 43.13 13.82 17.46 31.62 91.74 51.23 -63.76 -41.69 0.44 0.00 99.56 0.08 0.03 0.23 99.37 0.29 0.00 0.00 0.00 43 E H H 104.83 2.74 22.47 24.40 91.57 50.37 -64.10 -41.10 0.40 0.00 99.60 0.04 0.02 0.26 99.51 0.17 0.00 0.00 0.00 44 D H H 56.89 7.39 19.80 28.07 92.02 50.22 -65.23 -41.09 0.46 0.00 99.54 0.04 0.02 0.31 99.41 0.21 0.00 0.00 0.00 45 Y H H 40.12 15.86 17.04 33.19 92.05 50.12 -64.57 -41.72 0.52 0.00 99.48 0.05 0.03 0.37 99.15 0.39 0.00 0.00 0.00 46 N H H 69.67 6.77 20.53 27.93 91.63 50.65 -63.99 -40.16 0.98 0.00 99.02 0.09 0.06 0.75 98.29 0.80 0.00 0.00 0.00 47 E H H 82.59 4.52 20.07 25.14 92.07 51.77 -65.12 -39.36 2.64 0.00 97.36 0.14 0.14 2.26 95.45 2.00 0.00 0.00 0.00 48 C H H 30.94 13.01 15.60 29.58 92.75 51.62 -68.77 -31.31 12.10 0.01 87.90 0.34 0.47 11.39 84.86 2.92 0.01 0.00 0.01 49 L H H 68.93 10.83 17.00 28.25 94.66 51.97 -84.39 -15.30 39.88 0.05 60.07 1.22 2.66 35.66 57.33 3.04 0.03 0.02 0.05 50 H C S 96.98 5.45 16.10 22.65 108.23 77.95 -89.80 105.35 81.74 1.13 17.12 26.68 35.00 19.23 15.70 2.03 0.01 0.28 1.07 51 R H H 131.83 6.71 13.38 21.34 96.55 -151.63 -57.48 -35.69 20.19 0.13 79.68 4.84 6.88 9.30 76.62 2.21 0.03 0.04 0.09 52 D H H 103.92 1.60 17.31 18.01 93.61 54.09 -65.57 -39.53 7.36 0.02 92.62 1.20 0.97 4.95 90.45 2.39 0.01 0.01 0.01 53 K H H 84.80 6.45 15.58 23.31 92.84 50.36 -67.14 -39.97 3.62 0.01 96.37 0.74 0.36 2.22 94.35 2.32 0.00 0.01 0.00 54 L H H 40.87 11.54 13.60 26.44 91.96 52.20 -63.88 -41.79 1.86 0.00 98.14 0.50 0.18 0.93 97.07 1.31 0.00 0.00 0.00 55 K H H 108.40 2.99 18.95 22.00 91.79 50.49 -63.97 -41.56 1.16 0.00 98.84 0.29 0.09 0.59 98.55 0.47 0.00 0.00 0.00 56 L H H 87.60 2.57 19.18 21.28 91.63 50.02 -64.33 -41.60 0.59 0.00 99.41 0.14 0.04 0.29 99.38 0.16 0.00 0.00 0.00 57 R H H 87.96 9.16 16.69 26.62 92.22 50.17 -64.91 -41.12 0.38 0.00 99.62 0.07 0.02 0.21 99.59 0.11 0.00 0.00 0.00 58 K H H 87.42 7.52 17.26 25.60 91.71 50.80 -63.74 -41.70 0.32 0.00 99.68 0.05 0.01 0.18 99.69 0.07 0.00 0.00 0.00 59 L H H 90.10 2.07 19.77 20.66 91.57 50.02 -64.03 -41.55 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 60 L H H 71.51 4.10 18.21 22.96 91.82 50.11 -64.21 -42.10 0.18 0.00 99.82 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 61 I H H 55.05 8.81 15.64 25.74 91.88 49.25 -64.32 -42.07 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 62 E H H 96.88 3.64 17.88 21.89 91.56 50.19 -63.89 -41.67 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 63 R H H 136.77 1.64 18.88 19.22 91.87 49.70 -64.77 -41.53 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 64 E H H 75.13 4.76 16.34 22.28 91.69 49.84 -64.55 -41.11 0.23 0.00 99.77 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 65 K H H 88.82 6.09 15.52 22.66 91.99 50.54 -63.96 -41.55 0.30 0.00 99.70 0.04 0.02 0.17 99.73 0.05 0.00 0.00 0.00 66 N H H 90.05 2.07 16.80 18.55 91.67 50.33 -64.13 -40.99 0.48 0.00 99.52 0.07 0.03 0.27 99.56 0.07 0.00 0.00 0.00 67 K H H 120.04 1.77 16.33 17.57 91.94 49.90 -64.89 -40.74 0.68 0.00 99.32 0.12 0.05 0.38 99.32 0.13 0.00 0.00 0.00 68 Q H H 88.64 4.01 13.94 19.01 92.21 50.12 -65.05 -40.45 1.18 0.00 98.82 0.21 0.09 0.70 98.76 0.24 0.00 0.00 0.00 69 E H H 107.03 2.56 13.63 16.94 92.03 50.50 -64.39 -40.16 2.93 0.01 97.06 0.51 0.26 1.84 96.94 0.44 0.00 0.00 0.00 70 A H H 72.26 1.47 12.81 14.24 92.58 51.17 -66.69 -37.27 8.54 0.02 91.44 1.42 0.90 5.54 91.37 0.75 0.00 0.01 0.01 71 A H H 76.76 1.85 10.97 13.63 93.75 53.30 -70.84 -28.59 27.63 0.11 72.27 5.06 3.81 18.01 71.80 1.21 0.01 0.03 0.07 72 S C H 82.16 2.24 9.22 12.77 99.58 55.76 -82.52 -9.14 56.97 0.54 42.49 17.93 11.18 27.44 41.04 1.90 0.02 0.18 0.32 73 S C C 87.56 1.69 8.39 11.43 104.40 83.49 -82.57 31.38 85.43 0.44 14.13 68.03 1.38 14.62 14.55 0.96 0.00 0.17 0.28 74 S C C 87.72 2.09 10.40 13.88 109.53 94.94 -87.18 99.41 99.98 0.01 0.01 99.91 0.04 0.03 0.00 0.00 0.00 0.00 0.00