# 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 114.79 4.52 10.94 17.00 114.36 -151.89 -89.70 136.83 99.94 0.03 0.02 99.85 0.08 0.05 0.01 0.00 0.00 0.01 0.01 1 A C C 76.85 3.74 8.46 13.94 108.22 -115.17 -79.69 120.81 81.01 0.89 18.10 69.02 1.95 11.80 4.11 12.16 0.00 0.46 0.48 2 D C C 117.26 1.67 8.17 11.20 104.08 60.64 -82.84 12.96 79.39 1.07 19.54 41.11 15.99 22.06 3.29 16.39 0.00 0.48 0.67 3 E C C 141.78 2.14 8.51 12.20 104.93 89.43 -86.39 25.34 78.80 1.11 20.09 46.15 19.54 12.59 4.23 16.24 0.00 0.48 0.76 4 E C C 126.61 2.99 9.58 14.41 115.45 106.38 -91.28 133.76 93.03 0.88 6.09 62.50 27.78 2.95 4.13 1.69 0.00 0.30 0.66 5 P C C 86.74 5.17 9.86 16.89 112.15 -107.16 -68.09 144.31 88.69 1.23 10.09 73.84 8.39 6.30 7.63 2.50 0.00 0.53 0.80 6 V C C 83.46 6.19 10.67 18.55 115.57 -146.10 -95.84 136.11 84.06 1.94 14.00 61.88 15.85 5.32 12.65 2.19 0.00 0.66 1.46 7 D C C 75.39 5.00 13.49 19.99 106.14 -127.73 -86.90 100.40 83.52 0.59 15.89 73.77 5.32 3.23 15.83 1.32 0.00 0.23 0.31 8 Q H H 77.55 9.02 13.37 23.92 93.88 -168.42 -67.30 -30.88 21.48 0.18 78.34 14.49 2.58 4.17 77.54 1.09 0.00 0.06 0.08 9 K H H 89.74 9.84 14.01 24.68 92.29 56.73 -64.29 -39.64 5.47 0.04 94.49 2.68 0.73 1.94 93.87 0.74 0.00 0.02 0.01 10 R H H 135.04 2.45 17.69 20.06 92.49 50.76 -65.15 -40.58 1.90 0.02 98.08 0.89 0.24 0.74 97.49 0.62 0.00 0.01 0.00 11 Y H H 105.30 4.20 17.17 22.14 92.05 49.40 -65.51 -41.89 0.89 0.01 99.10 0.35 0.11 0.39 98.76 0.37 0.00 0.01 0.00 12 L H H 31.06 14.02 14.36 29.36 92.04 50.20 -64.25 -42.58 0.77 0.01 99.22 0.24 0.09 0.39 98.92 0.35 0.00 0.01 0.00 13 E H H 73.73 10.80 16.07 27.55 91.96 51.12 -63.47 -41.06 0.92 0.01 99.07 0.17 0.08 0.57 98.67 0.50 0.00 0.00 0.00 14 E H H 118.95 1.91 19.93 20.68 92.35 50.19 -65.91 -39.15 2.49 0.01 97.50 0.18 0.15 2.12 96.09 1.45 0.00 0.00 0.00 15 S H H 58.21 5.39 17.98 24.03 93.15 49.69 -70.47 -31.72 11.70 0.01 88.29 0.33 0.44 11.32 86.03 1.87 0.01 0.00 0.01 16 C H H 18.58 17.49 11.71 29.46 97.16 45.51 -92.46 -9.93 44.79 0.11 55.09 4.52 3.62 36.05 51.27 4.34 0.04 0.04 0.12 17 K H G 96.22 10.81 14.53 25.97 92.85 87.31 -58.83 -42.03 36.93 0.27 62.80 17.53 5.67 13.63 26.86 36.01 0.00 0.13 0.17 18 P H G 97.68 1.84 18.36 19.34 92.03 50.57 -66.74 -27.45 22.45 0.13 77.42 5.29 2.66 13.06 24.02 54.83 0.00 0.08 0.05 19 K H G 121.35 4.71 17.46 22.92 94.21 52.34 -77.51 -20.31 21.41 0.16 78.43 3.93 2.64 13.25 27.33 52.69 0.01 0.09 0.07 20 C H G 19.01 18.66 10.53 28.72 99.99 48.92 -98.69 2.30 39.83 1.12 59.04 15.82 6.24 17.26 25.61 33.86 0.05 0.53 0.63 21 V H H 72.72 6.89 16.62 24.83 93.16 96.97 -62.34 -40.70 11.62 0.20 88.19 7.33 2.68 2.40 86.35 1.09 0.00 0.06 0.10 22 K H H 129.28 1.97 20.80 21.60 92.01 51.10 -64.45 -40.71 1.87 0.01 98.13 0.55 0.17 0.87 98.01 0.40 0.00 0.00 0.00 23 P H H 32.94 12.30 16.48 29.78 92.15 50.16 -65.18 -40.13 0.97 0.00 99.03 0.27 0.06 0.47 98.82 0.38 0.00 0.00 0.00 24 L H H 53.39 12.87 16.96 30.11 92.01 51.69 -63.82 -41.41 0.15 0.00 99.85 0.02 0.01 0.07 99.77 0.13 0.00 0.00 0.00 25 L H H 92.33 2.55 21.69 23.26 91.61 50.51 -63.94 -41.75 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 26 E H H 88.68 6.16 20.29 27.01 91.94 50.06 -64.63 -41.47 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 27 Y H H 36.63 16.76 16.22 33.22 92.04 50.21 -63.99 -41.80 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 28 Q H H 92.11 4.43 22.05 26.67 91.51 50.69 -63.70 -41.09 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 29 A H H 48.50 3.00 21.31 23.84 91.08 50.84 -63.67 -41.75 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 30 C H H 18.16 13.34 16.27 31.09 91.63 50.77 -64.02 -42.19 0.14 0.00 99.86 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 31 I H H 55.86 10.00 17.58 28.66 91.69 50.42 -63.38 -41.59 0.24 0.00 99.76 0.02 0.01 0.17 99.75 0.06 0.00 0.00 0.00 32 K H H 129.11 1.43 21.29 20.67 91.77 50.14 -64.50 -40.84 0.75 0.00 99.25 0.06 0.04 0.58 98.86 0.45 0.00 0.00 0.00 33 R H H 101.62 5.92 16.96 23.96 92.30 49.83 -66.25 -38.77 2.58 0.01 97.41 0.20 0.16 2.08 96.67 0.89 0.00 0.00 0.00 34 I H H 45.80 13.68 12.33 26.44 93.48 50.10 -70.17 -32.86 8.16 0.04 91.80 0.85 0.79 6.28 91.11 0.92 0.02 0.01 0.02 35 H H H 133.71 2.76 15.35 18.78 96.67 55.41 -80.33 -13.62 34.92 0.34 64.74 5.95 5.46 23.07 64.04 1.09 0.05 0.10 0.24 36 G C C 48.54 3.28 11.76 16.39 107.45 60.08 -74.74 119.92 84.32 0.65 15.03 34.94 23.13 25.41 13.97 1.82 0.00 0.19 0.54 37 D C C 97.10 4.25 9.04 15.05 108.54 -130.32 -86.49 100.82 93.65 1.06 5.29 68.26 15.77 9.47 2.96 2.16 0.00 0.38 1.00 38 D C C 120.12 1.53 9.92 12.56 101.42 134.09 -82.82 1.33 91.65 0.69 7.66 36.79 24.18 30.91 2.09 5.25 0.00 0.27 0.51 39 S C T 88.69 1.61 9.53 12.16 103.95 64.47 -88.02 23.03 92.42 0.46 7.12 16.85 29.79 45.93 1.54 5.35 0.00 0.20 0.33 40 G C S 55.91 2.23 11.10 14.54 103.92 -56.53 84.41 -4.12 93.54 0.74 5.72 25.12 42.41 26.02 1.09 4.54 0.00 0.33 0.48 41 Q C C 120.63 3.31 11.70 16.59 108.87 101.80 -92.22 88.01 94.94 2.04 3.03 65.17 25.42 4.19 1.38 1.60 0.00 0.84 1.39 42 K C C 104.51 8.53 11.96 21.62 113.17 -130.43 -84.94 136.38 94.01 2.69 3.31 84.17 7.24 2.41 2.23 1.00 0.00 1.11 1.84 43 H C C 99.05 6.48 17.56 24.80 113.12 -123.00 -97.23 131.02 90.13 4.87 5.01 80.90 5.74 2.94 4.10 1.04 0.00 1.70 3.57 44 C C C 31.02 17.01 13.35 29.86 96.30 -102.20 -75.33 -16.29 66.50 2.84 30.65 48.43 11.10 6.43 29.23 2.09 0.01 0.79 1.92 45 T H H 63.55 7.68 18.78 27.16 92.71 87.18 -63.75 -40.46 9.09 0.10 90.81 3.84 1.55 3.84 87.64 3.03 0.01 0.04 0.04 46 G H H 29.94 5.28 19.95 26.06 91.99 51.80 -63.31 -40.73 3.37 0.03 96.61 0.69 0.39 2.08 91.04 5.77 0.00 0.02 0.00 47 Q H H 43.22 13.59 17.66 31.65 92.30 51.03 -65.46 -40.43 2.80 0.02 97.17 0.44 0.23 1.86 90.86 6.59 0.00 0.01 0.00 48 Y H H 63.75 14.04 18.30 32.30 92.01 51.22 -63.88 -41.59 3.06 0.01 96.93 0.37 0.24 2.25 93.88 3.24 0.00 0.01 0.00 49 F H H 102.62 4.42 21.87 26.37 91.70 51.37 -63.77 -41.87 0.48 0.00 99.52 0.07 0.03 0.28 99.47 0.15 0.00 0.00 0.00 50 D H H 55.73 8.06 19.98 28.82 91.72 50.76 -64.36 -41.39 0.17 0.00 99.83 0.02 0.01 0.12 99.78 0.08 0.00 0.00 0.00 51 Y H H 48.13 16.47 18.20 34.40 91.93 50.56 -64.05 -42.55 0.09 0.00 99.91 0.00 0.00 0.07 99.86 0.06 0.00 0.00 0.00 52 W H H 99.33 9.88 20.42 30.63 91.77 50.47 -63.92 -41.77 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 53 F H H 97.13 3.99 22.01 25.88 91.65 50.43 -63.98 -42.35 0.10 0.00 99.90 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 54 C H H 21.59 12.46 17.55 31.51 91.81 49.96 -64.02 -43.25 0.17 0.00 99.83 0.01 0.01 0.13 99.82 0.04 0.00 0.00 0.00 55 V H H 29.29 16.09 16.92 33.08 92.85 47.64 -65.54 -41.86 0.22 0.00 99.78 0.01 0.01 0.17 99.76 0.06 0.00 0.00 0.00 56 D H H 78.29 6.13 19.29 26.03 94.09 44.75 -72.72 -37.61 0.83 0.00 99.17 0.02 0.03 0.74 99.07 0.14 0.00 0.00 0.00 57 K H H 126.40 2.65 19.92 22.26 100.03 34.79 -90.65 -34.86 7.43 0.00 92.56 0.06 0.16 8.12 91.28 0.37 0.01 0.00 0.00 58 C H H 45.97 9.68 17.36 28.05 105.61 28.48 -102.76 -37.02 49.32 0.03 50.65 0.30 1.10 47.62 50.19 0.73 0.02 0.01 0.02 59 V H H 23.99 15.69 15.73 31.89 98.82 37.47 -89.62 -26.60 34.82 0.23 64.95 1.92 2.98 29.48 63.26 1.95 0.15 0.07 0.19 60 A H H 33.60 11.14 15.18 27.77 92.27 73.78 -58.58 -43.97 4.19 0.01 95.79 1.09 0.40 2.31 88.30 7.89 0.00 0.01 0.00 61 P H H 77.14 2.71 19.87 22.15 91.57 49.98 -64.56 -39.21 2.18 0.01 97.81 0.25 0.14 1.55 88.79 9.26 0.00 0.00 0.00 62 K H H 97.93 5.13 18.38 24.13 92.42 48.47 -67.03 -40.05 1.54 0.01 98.45 0.17 0.10 1.09 89.67 8.97 0.00 0.00 0.00 63 L H H 34.11 13.58 13.40 27.85 92.39 50.55 -65.47 -41.38 3.09 0.01 96.89 0.48 0.29 2.09 91.96 5.15 0.01 0.01 0.00 64 F H H 97.05 5.93 14.16 21.65 92.22 51.81 -64.83 -39.54 4.65 0.03 95.32 0.97 0.49 2.89 85.78 9.84 0.01 0.01 0.01 65 T H H 92.92 1.50 14.98 16.04 92.45 51.41 -66.33 -36.68 7.89 0.02 92.09 0.79 0.51 5.94 78.53 14.19 0.01 0.01 0.01 66 K H H 120.73 4.20 12.65 18.13 93.48 51.82 -71.58 -30.25 16.20 0.04 83.76 1.46 1.07 12.75 71.82 12.82 0.02 0.02 0.03 67 L H H 77.48 8.96 8.65 18.53 98.12 52.19 -86.76 -11.20 40.10 0.35 59.55 17.48 1.95 21.54 53.05 5.59 0.01 0.13 0.27 68 K C C 144.36 3.20 12.61 17.51 102.64 112.99 -71.63 64.27 99.95 0.03 0.02 99.84 0.07 0.06 0.01 0.00 0.00 0.01 0.00