# 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 A C C 79.92 3.49 10.89 15.76 112.90 -132.75 -87.67 134.75 99.81 0.16 0.02 99.60 0.23 0.05 0.01 0.00 0.00 0.08 0.03 1 V C C 103.50 3.33 7.96 13.27 116.92 -142.40 -98.32 132.25 98.01 1.32 0.67 96.50 1.36 0.35 0.49 0.09 0.00 0.49 0.72 2 P C C 95.49 2.71 7.93 12.60 113.78 -109.81 -66.22 147.16 91.59 1.51 6.90 83.98 3.73 4.37 4.65 1.73 0.00 0.83 0.70 3 K C C 163.89 1.43 8.06 10.83 111.19 -123.67 -84.29 121.39 77.68 3.82 18.50 60.34 9.10 7.61 13.76 5.32 0.00 2.18 1.68 4 K C C 153.61 1.85 8.22 11.61 113.38 -143.83 -95.37 130.13 67.02 6.25 26.73 46.41 12.70 7.50 20.45 7.01 0.03 4.03 1.87 5 K C C 149.82 2.03 8.62 12.25 112.94 -141.82 -93.28 126.28 63.06 7.58 29.35 47.32 9.26 6.02 24.01 6.20 0.03 5.21 1.96 6 L C C 98.66 4.72 7.85 14.34 114.78 -141.62 -92.09 138.18 65.89 6.48 27.64 51.34 9.95 4.20 25.22 3.39 0.02 4.15 1.73 7 S C C 59.98 3.17 9.60 14.33 115.27 -125.25 -80.91 151.25 68.02 4.66 27.32 57.85 6.32 3.38 26.11 2.19 0.00 2.83 1.31 8 V H H 111.18 1.72 10.05 12.75 93.94 -118.41 -63.66 -34.91 29.08 2.17 68.75 13.55 6.61 11.13 60.87 5.64 0.11 1.54 0.55 9 F H H 142.40 1.45 10.22 12.17 94.19 55.01 -69.20 -34.79 30.45 2.99 66.56 13.63 6.32 12.67 58.49 5.80 0.13 2.30 0.66 10 R H H 127.17 3.25 10.09 14.80 95.28 53.98 -72.59 -30.98 30.82 3.31 65.88 18.46 6.08 8.93 57.01 6.19 0.09 2.44 0.81 11 R H H 136.02 2.69 10.76 14.73 93.16 58.19 -66.03 -39.39 28.63 2.38 68.99 15.17 5.42 10.07 60.85 6.11 0.09 1.66 0.64 12 R H H 151.43 1.57 11.95 13.75 94.11 51.59 -69.96 -32.84 33.76 1.58 64.66 14.98 5.92 13.97 57.30 6.26 0.09 1.01 0.48 13 N H H 92.59 3.07 10.82 15.15 96.76 54.84 -75.95 -26.00 41.86 1.52 56.62 21.45 7.30 14.12 49.16 6.52 0.05 0.85 0.55 14 R H H 137.37 3.49 10.76 15.65 96.10 63.22 -71.27 -27.41 48.55 2.85 48.60 25.55 8.96 14.63 40.73 7.46 0.06 1.69 0.91 15 R C C 145.09 2.46 11.22 14.68 97.31 60.71 -76.43 -22.44 55.77 4.11 40.12 35.91 7.42 12.40 33.30 7.11 0.02 2.64 1.21 16 I C H 96.51 3.37 10.46 15.28 99.96 67.64 -77.32 -29.08 50.10 3.80 46.10 35.56 7.39 7.75 36.48 9.21 0.01 2.62 0.98 17 W H H 152.72 3.19 10.65 15.19 98.04 63.29 -73.41 -30.75 42.92 3.79 53.29 26.40 6.21 10.60 36.42 16.66 0.02 2.84 0.84 18 Y H H 147.61 2.73 10.71 14.63 97.33 58.83 -74.55 -28.50 42.18 3.76 54.06 21.45 7.17 13.70 35.55 18.30 0.07 2.86 0.90 19 W H H 165.76 3.00 10.13 14.50 99.61 54.59 -82.60 -7.67 46.64 3.95 49.41 24.22 8.33 14.54 33.33 15.60 0.07 2.82 1.08 20 K C C 129.93 3.73 9.86 15.25 106.42 80.72 -85.83 58.01 59.18 4.72 36.10 34.73 11.43 13.95 26.50 8.74 0.06 2.98 1.61 21 K C C 142.29 2.79 10.49 14.81 105.32 62.84 -84.18 61.56 69.79 4.95 25.26 39.00 15.82 15.41 18.37 6.66 0.06 2.71 1.97 22 A C C 77.20 3.62 10.55 15.78 106.93 -131.83 -86.24 91.89 78.79 4.82 16.39 46.48 20.15 12.05 11.24 5.24 0.03 2.34 2.47 23 S C C 72.23 4.08 11.76 17.45 117.65 -112.81 -94.90 136.62 91.67 3.20 5.13 60.25 26.64 5.07 2.38 2.68 0.00 1.83 1.16 24 P C C 77.00 8.26 11.79 21.24 113.17 -109.82 -70.69 142.22 92.10 4.20 3.70 79.06 8.83 4.24 1.32 2.34 0.00 3.47 0.74 25 I C C 86.18 7.90 14.60 23.79 118.01 -151.89 -103.36 134.02 75.43 21.91 2.66 65.82 6.39 2.26 0.97 1.71 0.00 20.42 2.42 26 I E E 81.93 10.24 14.31 25.45 122.53 -145.84 -107.54 138.76 48.97 50.47 0.56 45.18 2.53 0.37 0.39 0.23 0.00 49.49 1.82 27 G E E 21.68 9.46 16.49 27.41 135.89 173.56 -137.89 166.26 14.76 84.88 0.36 13.15 1.40 0.20 0.27 0.14 0.00 83.90 0.93 28 Q E E 105.36 5.33 18.15 24.72 120.65 -109.88 -102.03 137.73 6.46 93.39 0.15 6.08 0.40 0.06 0.12 0.05 0.00 78.91 14.38 29 C C C 18.28 16.61 8.79 25.91 110.11 -115.43 -70.93 128.21 86.63 13.32 0.06 86.32 0.81 0.12 0.01 0.03 0.00 11.64 1.08 30 S C T 85.14 2.08 15.72 18.47 93.76 -148.71 -69.81 -23.89 99.62 0.24 0.14 1.20 6.91 91.51 0.01 0.16 0.00 0.19 0.03 31 H C T 134.77 2.55 14.13 17.55 100.29 43.19 -84.72 -39.83 99.83 0.06 0.11 0.19 3.75 95.92 0.00 0.09 0.00 0.04 0.01 32 C C T 66.84 4.91 12.68 19.11 103.35 18.73 -108.43 -13.87 99.80 0.11 0.09 0.74 5.41 93.67 0.00 0.09 0.00 0.07 0.02 33 G C C 47.17 4.26 13.66 19.58 95.54 -120.89 80.20 6.61 98.92 1.02 0.06 85.83 9.43 3.72 0.01 0.07 0.00 0.60 0.35 34 F C C 98.91 5.51 14.73 22.03 120.34 137.66 -81.54 148.84 93.02 6.95 0.03 87.45 5.83 0.16 0.00 0.02 0.00 5.79 0.74 35 V E E 83.23 7.93 16.38 25.37 116.13 -115.40 -85.30 136.66 3.13 96.85 0.01 2.97 0.23 0.01 0.01 0.00 0.00 72.94 23.83 36 G E E 15.50 12.62 13.90 27.61 136.79 159.73 -146.81 171.43 36.17 63.77 0.06 32.51 2.74 0.18 0.01 0.05 0.00 63.54 0.95 37 P C C 66.99 6.65 17.47 24.95 114.24 -76.91 -68.10 153.08 71.35 26.29 2.36 50.03 14.89 6.11 0.33 2.36 0.00 24.51 1.78 38 S C T 67.99 8.05 15.42 24.24 109.02 -85.96 -66.00 133.23 80.72 6.13 13.15 18.44 19.18 43.56 1.47 11.66 0.01 4.33 1.34 39 G C T 46.12 5.75 16.22 22.82 98.65 18.16 83.79 -1.43 76.78 10.47 12.75 24.85 16.33 36.90 1.94 10.41 0.02 7.82 1.73 40 V C C 67.90 8.88 14.68 24.67 111.99 115.78 -98.22 118.27 65.01 26.01 8.99 46.42 9.98 7.80 3.06 6.36 0.03 18.12 8.22 41 L C C 77.46 11.34 12.83 24.44 115.68 92.63 -100.05 130.61 75.51 20.50 3.99 53.75 9.94 11.66 1.67 2.27 0.01 16.11 4.59 42 G C C 46.42 5.35 15.23 21.66 109.71 14.02 88.31 -4.04 89.66 8.03 2.31 63.73 12.26 13.78 0.74 1.48 0.00 6.53 1.48 43 L C C 105.70 5.53 12.83 19.67 111.44 100.15 -93.68 119.07 89.27 7.35 3.37 61.94 19.20 8.16 1.39 2.01 0.00 4.78 2.51 44 S C C 68.17 4.75 11.77 18.09 119.22 -116.66 -93.24 147.28 87.16 6.58 6.26 52.82 28.85 5.80 3.30 2.86 0.01 3.74 2.62 45 P C C 94.00 3.81 12.46 17.59 110.76 -82.42 -72.41 146.45 79.01 4.75 16.24 54.08 13.84 11.22 7.03 9.12 0.01 3.04 1.67 46 I C C 106.92 6.23 9.84 17.52 110.04 -113.47 -82.36 129.77 68.81 8.63 22.56 49.39 9.64 9.99 9.20 13.28 0.01 5.56 2.92 47 A C C 74.25 4.64 11.23 17.43 112.51 -142.27 -86.77 131.35 67.36 10.56 22.07 50.36 8.91 8.21 8.71 13.35 0.01 7.54 2.92 48 K C C 137.14 4.20 11.73 17.66 113.05 -150.96 -94.87 125.66 67.27 15.28 17.46 45.59 12.23 9.62 6.62 10.85 0.04 10.79 4.27 49 C C C 86.53 4.32 12.65 18.59 117.40 -158.89 -105.75 138.77 71.65 17.94 10.42 49.17 14.18 7.61 4.08 6.52 0.03 11.67 6.75 50 Y C C 95.43 11.67 8.80 20.81 119.17 -129.52 -95.18 138.65 89.91 9.07 1.02 64.85 24.59 0.96 0.54 0.43 0.00 5.52 3.12 51 P C C 59.94 5.10 11.83 19.06 114.54 -107.87 -65.83 149.05 93.77 4.04 2.19 90.62 2.49 1.19 0.66 1.31 0.00 2.31 1.42 52 T H G 115.07 1.61 10.84 13.75 93.05 -116.36 -62.12 -27.74 29.78 0.93 69.28 6.83 5.31 16.94 2.14 68.00 0.00 0.62 0.15 53 E H G 148.37 1.27 11.98 13.56 94.01 62.85 -74.21 -16.37 29.78 1.49 68.73 5.64 4.90 18.63 2.10 67.45 0.00 1.06 0.22 54 Y H G 106.31 8.64 8.67 18.33 102.82 55.26 -95.49 3.58 30.33 2.25 67.42 12.39 7.04 10.71 2.28 65.69 0.01 1.42 0.47 55 K C S 116.62 5.44 10.20 17.49 117.98 104.62 -94.53 137.69 96.41 2.36 1.24 44.69 49.87 1.97 0.47 0.61 0.00 0.84 1.54 56 P C C 88.08 4.00 10.45 16.29 115.70 -102.15 -66.03 149.27 97.68 1.32 1.00 76.71 15.41 5.52 0.24 0.75 0.00 0.66 0.72 57 P C C 103.43 3.01 10.73 15.53 108.79 -97.59 -65.65 143.60 96.92 1.45 1.63 87.25 2.83 6.96 0.51 0.82 0.00 0.68 0.94 58 C C C 86.04 5.91 10.86 18.10 105.68 -121.39 -83.56 88.41 99.66 0.28 0.07 99.16 0.33 0.25 0.02 0.02 0.00 0.13 0.09