# 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 66.07 7.00 11.64 19.68 110.05 158.62 -89.82 111.33 99.87 0.10 0.02 99.65 0.21 0.06 0.01 0.00 0.00 0.04 0.02 1 G C C 40.57 4.63 10.45 16.63 122.25 -128.10 -111.23 175.16 95.83 0.66 3.51 90.37 3.24 2.64 2.03 0.96 0.00 0.26 0.50 2 P C C 109.08 1.92 9.85 12.74 104.68 -56.43 -72.62 23.16 70.46 0.98 28.55 30.46 12.78 28.05 11.57 16.04 0.01 0.47 0.62 3 E C C 138.95 2.36 9.00 12.74 102.96 58.37 -82.14 12.94 65.28 1.19 33.53 28.09 11.67 26.04 15.59 17.27 0.02 0.54 0.79 4 T C C 86.45 3.58 9.06 14.22 106.73 113.19 -85.96 70.57 53.08 1.22 45.70 25.20 13.36 14.83 24.33 20.98 0.03 0.52 0.75 5 D C H 100.69 3.66 9.68 14.77 99.58 58.25 -75.90 -9.83 49.70 0.89 49.40 23.86 9.23 16.66 26.41 22.88 0.02 0.41 0.52 6 A H G 73.30 3.62 9.13 14.51 97.13 86.06 -75.41 -17.76 41.81 0.83 57.36 20.13 7.43 13.89 26.28 31.42 0.02 0.42 0.40 7 Q H G 134.77 1.82 11.06 13.86 97.12 69.12 -81.46 -7.04 47.42 1.22 51.36 22.46 9.33 15.42 22.39 29.15 0.03 0.59 0.63 8 F C C 125.78 5.24 9.54 16.43 110.51 66.53 -96.45 93.58 61.55 1.97 36.48 37.60 10.87 12.85 15.42 21.30 0.01 1.00 0.96 9 Q C C 121.24 3.45 11.38 16.72 117.20 131.33 -102.67 130.30 78.81 4.28 16.91 56.90 11.20 10.33 9.66 7.37 0.00 2.28 2.24 10 F C C 115.48 7.45 9.08 17.96 111.47 -148.37 -94.72 116.71 86.93 5.17 7.91 76.42 6.22 4.16 5.36 2.53 0.00 2.53 2.78 11 T C C 89.04 3.26 12.43 17.16 115.00 155.52 -111.01 127.53 77.13 4.28 18.59 46.21 15.78 14.72 16.11 3.16 0.03 2.06 1.93 12 G C H 40.00 4.07 13.67 18.87 100.16 23.19 77.97 -13.55 66.17 2.31 31.52 21.54 24.83 20.43 27.10 3.91 0.09 1.02 1.06 13 I H H 81.82 7.79 10.34 19.37 93.48 84.72 -66.40 -35.31 10.58 0.29 89.13 3.74 1.84 4.93 66.96 22.25 0.02 0.18 0.08 14 K H H 129.51 4.06 12.72 18.26 92.40 58.37 -65.32 -32.13 5.05 0.15 94.80 1.07 0.62 2.96 67.10 28.09 0.01 0.12 0.02 15 K H H 139.24 1.87 14.41 16.46 93.48 53.53 -72.03 -28.74 5.77 0.13 94.10 0.93 0.66 3.61 65.44 29.21 0.02 0.10 0.02 16 Y H H 121.26 5.35 12.72 19.40 100.84 38.49 -93.82 -21.85 17.73 0.55 81.72 3.55 3.05 10.90 62.32 19.46 0.18 0.31 0.23 17 F C C 84.25 10.03 10.15 21.02 110.95 67.82 -93.75 112.10 61.08 4.40 34.52 29.44 16.68 17.03 26.42 5.58 0.23 1.51 3.10 18 N C C 94.76 3.84 13.40 18.35 105.06 50.12 -90.14 27.73 73.71 2.32 23.98 33.35 12.88 27.90 11.93 11.51 0.03 1.05 1.35 19 S C T 69.79 5.30 11.07 17.85 98.73 42.50 -83.08 -3.15 76.47 1.46 22.07 21.32 20.16 35.84 8.49 12.59 0.02 0.63 0.95 20 Y C C 169.68 2.17 12.71 15.53 100.39 65.95 -92.29 -6.51 80.21 2.81 16.98 34.36 24.45 22.23 6.88 9.13 0.02 1.14 1.79 21 T C S 63.76 3.94 11.59 17.14 123.17 70.16 -106.40 159.34 80.56 3.46 15.97 29.28 46.37 4.96 14.42 1.74 0.02 0.88 2.33 22 L H H 120.04 2.50 12.51 16.28 93.01 -112.68 -61.32 -36.46 28.03 0.38 71.59 4.77 7.38 17.09 66.14 4.11 0.13 0.16 0.23 23 T H H 89.43 1.76 15.00 16.60 93.00 51.75 -66.31 -39.27 26.03 0.32 73.65 3.97 4.21 18.20 69.05 4.14 0.11 0.15 0.18 24 G H H 22.25 6.37 12.74 21.34 92.36 51.49 -64.38 -40.58 22.85 0.45 76.70 7.86 3.74 12.23 71.51 4.16 0.04 0.22 0.23 25 R H H 109.10 6.37 14.94 22.37 91.95 51.84 -64.36 -40.70 8.11 0.15 91.74 4.39 1.28 2.82 90.07 1.33 0.01 0.07 0.05 26 M H H 98.26 3.41 17.44 21.25 92.02 50.86 -64.84 -41.26 2.08 0.03 97.88 0.81 0.27 0.95 97.39 0.55 0.00 0.02 0.01 27 N H H 82.67 3.29 18.15 21.68 92.25 49.95 -65.32 -40.62 1.38 0.02 98.60 0.47 0.14 0.68 98.24 0.45 0.00 0.01 0.00 28 C H H 54.13 6.31 16.67 24.07 92.20 50.00 -65.13 -42.06 0.71 0.01 99.28 0.20 0.07 0.36 99.15 0.23 0.00 0.00 0.00 29 V H H 65.58 5.47 17.23 23.47 91.87 49.56 -64.01 -42.63 0.46 0.00 99.53 0.10 0.04 0.24 99.51 0.10 0.00 0.00 0.00 30 L H H 93.21 2.80 18.50 21.27 91.81 49.28 -64.22 -41.68 0.43 0.00 99.57 0.07 0.03 0.25 99.55 0.10 0.00 0.00 0.00 31 A H H 55.02 3.41 17.36 21.17 91.75 49.98 -64.34 -41.63 0.89 0.00 99.10 0.11 0.05 0.61 99.06 0.17 0.00 0.00 0.00 32 T H H 64.51 4.99 17.19 22.64 92.13 49.07 -65.53 -41.90 2.23 0.01 97.77 0.17 0.12 1.76 97.73 0.21 0.00 0.00 0.00 33 Y H H 121.77 3.66 17.71 21.67 92.21 48.88 -64.55 -41.38 2.48 0.01 97.52 0.33 0.21 1.68 97.61 0.17 0.00 0.00 0.00 34 G H H 35.34 3.01 16.83 20.32 91.87 50.68 -64.32 -41.34 1.25 0.00 98.75 0.23 0.10 0.72 98.86 0.09 0.00 0.00 0.00 35 G H H 34.68 3.45 16.29 20.32 92.21 51.07 -64.30 -41.74 0.55 0.00 99.45 0.10 0.04 0.31 99.49 0.06 0.00 0.00 0.00 36 I H H 92.22 2.95 16.86 19.81 92.01 49.75 -64.22 -41.97 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 37 A H H 57.16 2.57 15.86 18.78 91.42 50.32 -63.89 -41.66 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 38 L H H 92.47 2.28 15.72 18.04 91.74 50.19 -64.09 -41.10 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 L H H 91.06 2.41 15.50 17.96 91.57 50.33 -64.10 -41.46 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 V H H 81.13 2.17 14.93 17.16 91.64 49.49 -63.99 -42.15 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 41 L H H 89.89 2.13 14.30 16.72 91.63 50.08 -63.86 -41.39 0.13 0.00 99.87 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 42 Y H H 129.29 2.07 13.52 15.87 91.82 49.92 -64.38 -41.17 0.32 0.00 99.68 0.01 0.01 0.27 99.48 0.23 0.00 0.00 0.00 43 F H H 124.05 1.84 13.07 15.11 92.35 49.29 -66.06 -39.23 1.30 0.00 98.70 0.05 0.05 1.18 98.11 0.61 0.00 0.00 0.00 44 K H H 126.20 1.82 12.36 14.59 92.93 49.67 -68.29 -34.86 6.84 0.01 93.15 0.28 0.35 6.18 92.28 0.90 0.01 0.00 0.00 45 L H H 106.17 2.10 10.99 13.89 94.80 51.02 -75.07 -26.09 23.01 0.14 76.85 2.65 3.26 17.59 74.59 1.71 0.07 0.05 0.10 46 R C H 154.23 2.15 10.10 13.44 98.51 61.03 -75.35 -20.15 51.08 1.83 47.09 21.10 16.52 16.08 40.46 3.98 0.11 0.63 1.10 47 S C C 78.32 2.33 9.52 13.15 103.46 63.26 -80.07 22.28 67.57 1.76 30.67 43.21 7.67 16.48 25.26 5.59 0.01 0.86 0.92 48 K C C 154.83 1.71 8.89 11.87 104.79 67.61 -83.84 45.07 78.50 1.71 19.79 47.04 14.99 16.25 15.23 4.71 0.01 0.74 1.03 49 K C C 151.93 1.92 8.22 11.73 111.02 98.69 -90.14 119.59 89.00 1.47 9.52 55.85 24.77 8.13 7.12 2.53 0.00 0.60 1.00 50 T C C 101.18 2.11 8.65 12.54 116.52 -139.34 -93.60 137.55 94.43 0.91 4.66 69.68 22.50 2.11 3.76 1.04 0.00 0.37 0.54 51 P C C 101.89 2.38 8.71 12.89 113.66 -105.37 -67.12 147.76 81.67 1.48 16.85 68.74 6.18 7.21 10.50 5.87 0.00 0.82 0.68 52 A C C 88.84 1.82 7.47 10.96 110.66 -109.61 -74.65 137.68 75.08 4.35 20.58 52.49 13.07 9.59 12.02 8.50 0.00 2.74 1.58 53 V C C 118.73 1.87 6.53 10.13 113.86 -133.65 -92.68 130.38 71.20 9.22 19.58 51.11 12.21 7.67 12.23 7.57 0.02 6.61 2.58 54 K C C 164.90 1.07 7.71 10.00 114.94 -143.84 -95.70 131.35 74.92 9.64 15.43 57.36 9.99 7.00 10.54 5.28 0.01 7.41 2.39 55 A C C 87.61 2.27 6.22 10.45 112.74 -133.38 -84.98 134.47 88.22 4.18 7.59 79.74 2.35 6.92 4.60 2.13 0.00 2.97 1.28 56 T C C 110.37 1.67 9.28 12.27 111.14 -158.23 -97.42 112.58 99.85 0.10 0.05 99.65 0.14 0.11 0.02 0.00 0.00 0.05 0.01