# 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 116.46 6.71 13.04 20.85 111.67 161.85 -92.98 114.55 99.94 0.05 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 65.19 5.92 11.81 19.38 118.33 -136.51 -89.35 144.02 97.31 0.72 1.97 94.54 0.73 2.50 1.12 0.42 0.00 0.33 0.36 2 P C C 91.94 4.94 14.21 20.68 112.71 -103.61 -71.83 144.14 95.79 0.93 3.28 71.56 16.14 8.23 1.69 1.41 0.00 0.49 0.48 3 W C C 78.79 16.87 10.89 26.83 116.28 -116.45 -89.82 135.78 94.27 1.77 3.96 78.71 12.28 3.16 2.57 1.28 0.00 0.71 1.28 4 S C C 51.33 4.45 20.53 24.89 123.68 -144.70 -90.93 163.87 94.95 1.53 3.51 89.31 4.69 0.72 3.37 0.33 0.00 0.43 1.15 5 R H H 111.99 13.02 14.18 27.26 91.60 -108.07 -59.58 -37.80 2.54 0.01 97.45 0.75 0.44 1.06 97.50 0.25 0.00 0.00 0.00 6 E H H 124.05 2.78 19.89 22.83 91.82 53.54 -63.84 -40.52 0.84 0.00 99.16 0.16 0.09 0.45 99.12 0.19 0.00 0.00 0.00 7 A H H 30.98 9.39 18.63 29.39 91.91 49.58 -65.29 -40.72 0.36 0.00 99.64 0.08 0.03 0.17 99.55 0.17 0.00 0.00 0.00 8 V H H 6.91 22.61 16.69 39.36 91.42 50.06 -63.67 -43.60 0.22 0.00 99.78 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 9 L H H 43.70 12.75 21.49 34.52 91.28 50.08 -63.14 -41.54 0.12 0.00 99.88 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 10 S H H 55.40 3.94 25.52 29.18 91.46 50.81 -64.26 -41.34 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 11 L H H 13.19 19.00 21.10 40.04 91.32 50.52 -63.82 -43.41 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 12 Y H H 18.53 22.23 21.38 42.75 91.21 50.32 -62.34 -43.30 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 13 R H H 107.87 7.33 25.25 32.76 91.43 50.78 -63.26 -41.52 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 14 A H H 32.66 8.07 24.16 33.20 91.47 50.39 -64.30 -41.53 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 15 L H H 5.72 23.41 19.60 42.90 91.37 50.32 -63.54 -42.97 0.12 0.00 99.88 0.01 0.00 0.09 99.84 0.07 0.00 0.00 0.00 16 L H H 34.32 16.57 21.30 37.39 91.33 50.35 -63.29 -41.39 0.27 0.00 99.73 0.01 0.01 0.22 99.42 0.34 0.00 0.00 0.00 17 R H H 127.17 2.89 25.41 27.49 91.77 50.21 -64.52 -41.10 1.86 0.00 98.14 0.05 0.05 1.76 97.10 1.03 0.00 0.00 0.00 18 Q H H 38.67 11.60 19.97 32.57 92.03 49.59 -67.27 -36.80 6.16 0.00 93.83 0.25 0.30 5.50 90.77 3.17 0.00 0.00 0.00 19 G H H 4.57 21.70 12.79 34.64 91.14 60.71 -63.32 -32.26 15.41 0.05 84.53 1.92 1.17 10.83 66.30 19.70 0.02 0.03 0.03 20 R H T 143.49 5.54 18.58 25.36 91.47 62.68 -68.19 -23.18 44.24 0.06 55.70 1.59 2.02 39.63 35.78 20.88 0.01 0.03 0.06 21 Q C T 125.51 2.39 19.20 21.45 94.43 54.63 -85.10 -9.77 54.57 0.08 45.35 2.90 3.71 46.85 25.77 20.63 0.01 0.04 0.10 22 L C C 36.03 18.14 8.37 25.31 115.51 97.51 -82.98 137.05 90.51 0.61 8.88 53.77 31.34 5.42 6.13 2.51 0.00 0.17 0.66 23 R C C 177.12 1.72 16.89 18.77 108.53 -146.21 -89.57 103.63 95.21 0.60 4.18 83.68 5.80 5.86 2.22 1.72 0.00 0.25 0.47 24 Y C C 101.73 10.59 10.15 21.24 120.83 138.34 -105.20 153.69 84.91 1.31 13.78 45.40 21.09 18.57 4.32 9.06 0.00 0.50 1.06 25 T C S 98.01 3.29 13.68 18.00 100.45 -108.48 -85.22 -18.91 87.33 0.61 12.06 23.09 37.85 26.89 3.23 8.20 0.00 0.25 0.49 26 D C C 73.78 5.72 14.04 21.14 106.76 53.73 -103.15 90.59 86.21 1.25 12.54 59.85 12.20 14.08 5.04 7.24 0.00 0.47 1.12 27 R H H 99.34 13.08 11.57 24.73 94.70 167.53 -64.44 -36.87 6.67 0.02 93.30 3.25 0.96 2.30 92.72 0.75 0.00 0.01 0.01 28 D H H 108.71 1.71 18.31 19.76 91.76 54.73 -64.24 -39.18 1.71 0.00 98.29 0.22 0.12 1.15 98.02 0.49 0.00 0.00 0.00 29 F H H 99.42 3.87 18.94 23.16 92.07 49.29 -65.46 -41.81 0.49 0.00 99.51 0.06 0.03 0.33 99.12 0.47 0.00 0.00 0.00 30 Y H H 19.45 18.52 15.07 33.99 91.72 49.76 -63.57 -43.81 0.18 0.00 99.82 0.02 0.01 0.11 99.70 0.16 0.00 0.00 0.00 31 F H H 53.12 14.50 19.08 33.60 91.41 50.13 -62.74 -42.43 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 32 A H H 50.54 2.98 23.68 25.86 91.27 50.53 -63.43 -41.90 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 33 S H H 30.26 8.67 21.74 31.56 91.82 50.01 -64.53 -42.01 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 34 I H H 4.44 24.19 16.63 41.14 91.62 49.36 -63.79 -43.60 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 35 R H H 95.21 11.24 21.62 32.69 91.27 51.44 -62.32 -42.01 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 36 R H H 132.08 1.85 24.96 24.75 91.59 49.27 -64.01 -41.84 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 37 E H H 34.59 12.05 19.58 32.75 91.95 49.39 -64.45 -42.08 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 38 F H H 9.13 23.32 14.17 37.46 91.69 50.07 -64.05 -41.79 0.33 0.00 99.67 0.02 0.01 0.23 99.56 0.17 0.00 0.00 0.00 39 R H H 136.91 4.23 20.29 25.35 91.37 51.69 -63.75 -39.74 1.40 0.00 98.60 0.07 0.07 1.18 98.16 0.53 0.00 0.00 0.00 40 K H H 135.63 1.96 20.75 21.88 91.36 52.13 -67.08 -31.34 10.46 0.00 89.53 0.15 0.33 10.46 88.18 0.86 0.01 0.00 0.00 41 N C T 25.58 16.38 11.92 28.89 98.50 43.72 -103.90 12.25 56.22 0.07 43.71 5.67 2.49 46.89 42.22 2.64 0.01 0.02 0.06 42 Q C T 89.27 11.94 13.54 26.07 92.44 113.90 -62.12 -26.35 94.77 0.11 5.12 3.46 2.89 88.97 3.04 1.51 0.00 0.04 0.09 43 K C T 163.87 0.86 19.08 17.86 93.95 53.21 -90.70 1.16 97.46 0.06 2.49 2.73 4.12 90.92 0.89 1.28 0.00 0.03 0.03 44 L C C 35.92 16.40 7.34 23.25 112.76 120.08 -72.13 129.44 99.22 0.20 0.58 95.80 2.85 0.66 0.25 0.18 0.00 0.05 0.20 45 E C C 158.34 1.06 16.38 16.89 99.72 -175.18 -101.68 -15.73 99.72 0.11 0.17 87.18 12.05 0.46 0.10 0.05 0.00 0.03 0.14 46 D C S 82.45 3.23 14.58 19.04 113.88 86.00 -85.02 129.83 99.15 0.25 0.60 30.60 68.07 0.46 0.53 0.06 0.00 0.04 0.24 47 A H H 64.94 6.81 11.91 20.63 92.25 -140.57 -60.44 -37.42 3.18 0.00 96.81 0.38 0.52 2.05 96.11 0.93 0.00 0.00 0.00 48 E H H 131.79 1.30 17.61 17.82 91.55 53.65 -63.93 -40.14 2.16 0.00 97.84 0.27 0.20 1.49 97.10 0.93 0.00 0.00 0.00 49 A H H 34.03 6.24 15.51 23.84 91.95 49.06 -65.07 -40.49 0.96 0.00 99.03 0.25 0.10 0.50 98.33 0.81 0.00 0.00 0.00 50 R H H 40.29 17.17 13.26 30.42 91.68 52.04 -62.62 -42.75 0.34 0.00 99.66 0.08 0.03 0.15 99.60 0.15 0.00 0.00 0.00 51 E H H 92.51 5.51 20.80 26.75 91.49 50.77 -63.34 -41.26 0.22 0.00 99.78 0.03 0.01 0.12 99.76 0.08 0.00 0.00 0.00 52 R H H 126.95 2.12 23.70 24.12 91.73 50.03 -64.21 -41.93 0.15 0.00 99.85 0.01 0.00 0.10 99.80 0.08 0.00 0.00 0.00 53 Q H H 28.20 15.20 18.86 34.49 91.86 50.04 -63.94 -42.27 0.18 0.00 99.82 0.01 0.01 0.13 99.76 0.09 0.00 0.00 0.00 54 L H H 24.81 19.04 18.66 37.21 91.63 50.37 -63.58 -41.77 0.41 0.00 99.59 0.03 0.02 0.29 99.56 0.09 0.00 0.00 0.00 55 E H H 109.43 3.03 24.83 27.30 91.56 50.55 -63.93 -41.92 0.43 0.00 99.57 0.04 0.02 0.28 99.60 0.06 0.00 0.00 0.00 56 K H H 97.98 4.42 24.29 28.58 91.54 49.14 -64.70 -41.44 0.30 0.00 99.70 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 57 G H H 3.21 21.34 16.36 38.21 91.64 51.22 -63.04 -43.05 0.39 0.00 99.61 0.04 0.02 0.24 99.60 0.12 0.00 0.00 0.00 58 L H H 55.46 12.77 20.90 33.57 91.65 50.88 -63.10 -42.06 0.45 0.00 99.55 0.06 0.03 0.26 99.47 0.18 0.00 0.00 0.00 59 V H H 81.37 2.20 24.03 24.43 91.60 49.54 -64.04 -42.84 0.66 0.00 99.34 0.08 0.05 0.41 99.22 0.24 0.00 0.00 0.00 60 F H H 54.76 10.09 19.43 30.66 92.37 49.17 -64.97 -42.43 1.94 0.02 98.04 0.25 0.15 1.37 97.75 0.46 0.01 0.01 0.00 61 L H H 12.65 21.00 13.72 34.60 92.43 48.87 -65.73 -41.29 5.40 0.07 94.53 0.76 0.58 4.06 93.52 0.98 0.03 0.04 0.03 62 N H H 89.63 5.89 17.50 24.31 93.37 48.93 -68.74 -36.93 13.90 0.16 85.94 1.48 1.46 11.25 84.19 1.38 0.08 0.07 0.08 63 G H H 49.82 1.95 17.45 18.85 97.97 43.69 -74.64 -38.16 36.74 0.36 62.90 2.92 4.69 29.15 60.30 2.40 0.17 0.15 0.22 64 K C T 113.42 5.98 15.53 22.46 99.72 34.72 -87.68 -29.67 62.38 0.73 36.89 4.84 10.19 45.79 34.05 4.20 0.12 0.31 0.51 65 L C T 62.92 12.24 12.15 24.57 99.22 39.90 -92.50 -5.66 71.17 1.71 27.13 10.48 14.54 45.59 20.59 6.80 0.11 0.79 1.09 66 G C T 44.88 5.00 14.71 20.95 100.00 -109.48 74.01 7.48 80.30 1.73 17.97 25.80 16.06 39.38 7.43 9.56 0.01 0.92 0.84 67 R C C 135.65 6.32 13.48 21.02 103.43 92.46 -78.91 24.85 80.07 4.17 15.75 37.87 15.65 27.77 6.13 8.62 0.01 2.49 1.45 68 I C C 81.83 10.13 12.09 22.99 107.77 113.70 -88.84 81.41 78.29 12.67 9.04 65.70 3.55 8.73 5.43 3.22 0.01 8.31 5.05 69 I C C 78.58 11.09 14.48 25.98 112.32 -161.07 -97.47 118.54 99.58 0.41 0.01 99.59 0.08 0.02 0.00 0.00 0.00 0.27 0.02