# 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 105.36 7.11 15.57 23.62 116.97 -161.97 -97.57 136.38 99.94 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 66.01 7.29 13.94 22.52 116.29 -122.85 -84.21 140.60 95.51 2.43 2.06 92.48 1.26 2.18 1.35 0.41 0.00 1.16 1.16 2 L C C 38.72 17.08 9.40 25.78 115.59 -117.46 -85.03 136.77 96.28 1.62 2.10 80.81 13.73 1.69 1.66 0.46 0.00 0.68 0.97 3 T C C 67.98 3.00 17.64 20.64 121.41 -129.57 -81.49 163.01 96.92 0.89 2.19 93.01 3.31 0.66 2.00 0.22 0.00 0.30 0.50 4 A H H 67.71 6.09 12.43 20.27 92.37 -109.45 -59.35 -38.95 4.40 0.02 95.58 1.47 1.06 1.78 95.14 0.53 0.00 0.01 0.01 5 E H H 131.22 1.21 16.64 16.65 92.07 52.04 -64.76 -40.26 2.31 0.01 97.68 0.51 0.30 1.30 97.31 0.56 0.00 0.00 0.00 6 Q H H 69.79 7.86 15.22 24.49 92.17 48.64 -66.00 -39.89 1.31 0.01 98.68 0.42 0.15 0.66 98.14 0.61 0.00 0.00 0.00 7 K H H 48.94 17.18 13.29 29.95 91.60 52.61 -62.74 -42.13 0.67 0.00 99.33 0.20 0.06 0.31 99.21 0.21 0.00 0.00 0.00 8 K H H 116.86 4.26 19.52 24.61 91.41 50.84 -63.88 -40.61 0.55 0.00 99.44 0.11 0.04 0.27 99.47 0.10 0.00 0.00 0.00 9 E H H 108.49 2.15 22.12 22.81 91.85 49.52 -64.73 -41.70 0.77 0.00 99.23 0.14 0.05 0.43 99.23 0.14 0.00 0.00 0.00 10 I H H 16.96 16.05 17.16 34.05 92.08 49.16 -64.44 -43.43 1.23 0.01 98.76 0.18 0.10 0.78 98.73 0.20 0.00 0.00 0.00 11 L H H 19.87 18.98 15.15 34.12 91.75 49.63 -63.93 -40.64 1.70 0.01 98.29 0.27 0.17 1.10 97.64 0.82 0.00 0.00 0.00 12 G H H 45.77 3.19 19.74 23.16 92.38 53.81 -64.68 -38.57 5.36 0.01 94.63 0.44 0.29 4.35 89.79 5.12 0.01 0.00 0.00 13 Q H H 119.71 2.99 19.90 23.08 92.24 49.40 -68.90 -32.99 12.41 0.02 87.57 0.51 0.66 11.17 83.08 4.54 0.02 0.01 0.01 14 Y H H 54.83 16.13 14.63 30.61 98.54 35.63 -101.79 -4.45 37.03 0.10 62.87 1.41 3.51 32.19 58.85 3.84 0.07 0.03 0.09 15 G C T 25.84 9.25 18.88 29.06 113.36 -115.19 81.25 112.15 98.21 0.17 1.61 27.05 6.63 64.83 0.73 0.57 0.00 0.07 0.10 16 L C C 60.90 15.82 13.17 28.33 99.98 153.58 -86.25 -7.66 97.49 0.91 1.60 75.14 19.07 3.07 0.55 0.96 0.00 0.31 0.91 17 H C C 95.02 4.07 18.54 23.04 132.31 63.44 -125.06 165.85 93.83 4.59 1.58 58.32 30.19 3.63 0.43 1.11 0.00 0.88 5.46 18 D C T 121.87 2.51 13.49 17.74 91.75 -94.79 -62.91 -25.55 99.02 0.13 0.86 0.61 9.11 89.33 0.05 0.78 0.00 0.07 0.06 19 T C T 109.95 1.37 15.61 16.59 95.15 52.08 -91.02 -1.55 99.38 0.14 0.48 1.44 7.10 90.80 0.04 0.49 0.00 0.08 0.05 20 D C C 39.67 15.21 9.46 24.65 107.87 111.02 -81.88 110.17 97.02 2.79 0.19 85.67 10.17 0.53 0.06 0.11 0.00 0.76 2.70 21 T C C 90.28 5.07 17.68 23.97 99.29 169.82 -95.25 -1.83 99.11 0.54 0.35 52.71 11.35 35.03 0.08 0.25 0.00 0.25 0.33 22 G C S 35.26 10.78 17.48 28.18 98.30 54.25 -50.83 0.38 99.13 0.48 0.38 24.95 38.01 36.21 0.09 0.27 0.00 0.21 0.26 23 S C C 36.55 9.22 19.45 29.73 116.17 131.72 -75.68 141.64 99.36 0.31 0.33 81.21 17.85 0.14 0.33 0.03 0.00 0.05 0.38 24 P H H 44.55 15.54 18.18 33.70 92.62 -131.28 -60.09 -36.76 1.76 0.00 98.24 0.22 0.23 1.06 98.31 0.17 0.00 0.00 0.00 25 E H H 89.55 10.49 22.96 33.31 91.78 54.82 -63.88 -40.45 0.52 0.00 99.48 0.05 0.03 0.35 99.44 0.13 0.00 0.00 0.00 26 A H H 15.65 14.17 21.31 36.19 91.90 49.97 -64.98 -42.07 0.08 0.00 99.92 0.01 0.00 0.05 99.87 0.07 0.00 0.00 0.00 27 Q H H 41.92 16.73 23.66 39.36 91.91 50.62 -63.91 -42.40 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 28 V H H 19.67 18.17 23.56 41.18 91.49 49.99 -63.74 -43.10 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 29 A H H 26.74 10.84 25.17 36.81 91.48 50.21 -63.63 -42.31 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 L H H 35.29 13.32 24.59 38.08 91.64 49.52 -64.31 -42.39 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 31 L H H 17.73 19.98 22.41 41.85 91.90 50.09 -64.51 -42.31 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 32 T H H 34.94 14.04 22.73 36.50 91.79 50.69 -63.89 -41.94 0.22 0.00 99.78 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 33 K H H 95.80 5.94 25.05 31.16 91.73 49.96 -64.61 -41.59 0.16 0.00 99.84 0.01 0.01 0.08 99.88 0.01 0.00 0.00 0.00 34 R H H 70.01 12.85 22.35 34.91 91.96 49.69 -64.43 -41.78 0.21 0.00 99.79 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 35 I H H 16.69 19.93 18.53 38.27 91.69 50.03 -63.99 -42.39 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 36 Q H H 88.53 5.89 23.21 29.27 91.46 50.57 -63.58 -41.21 0.20 0.00 99.80 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 37 D H H 69.58 4.51 22.95 27.46 91.75 49.82 -65.03 -40.47 0.40 0.00 99.60 0.03 0.01 0.27 99.65 0.04 0.00 0.00 0.00 38 L H H 17.38 17.62 17.21 35.15 92.10 50.80 -65.20 -41.01 0.39 0.00 99.61 0.03 0.02 0.26 99.63 0.07 0.00 0.00 0.00 39 T H H 39.03 11.59 18.33 30.73 91.62 52.28 -63.35 -41.32 0.39 0.00 99.61 0.03 0.02 0.25 99.59 0.11 0.00 0.00 0.00 40 E H H 104.83 1.95 22.09 22.21 91.83 50.38 -64.28 -41.42 0.72 0.00 99.28 0.06 0.03 0.53 99.09 0.29 0.00 0.00 0.00 41 H H H 60.57 7.81 17.14 26.55 92.12 49.20 -65.56 -39.97 1.19 0.00 98.81 0.08 0.06 0.96 98.18 0.72 0.00 0.00 0.00 42 L H H 29.75 15.29 11.63 27.41 91.81 52.41 -65.99 -34.74 2.09 0.00 97.91 0.15 0.13 1.69 96.55 1.48 0.00 0.00 0.00 43 K H H 142.35 2.14 16.06 18.64 92.35 52.37 -67.28 -34.26 8.75 0.00 91.25 0.33 0.42 7.91 90.04 1.29 0.00 0.00 0.00 44 V H H 108.90 1.37 15.21 15.84 97.02 42.36 -79.74 -33.13 17.73 0.02 82.25 0.65 1.93 14.82 81.71 0.85 0.02 0.00 0.02 45 H C C 86.58 7.34 10.35 19.19 109.90 33.76 -119.32 80.28 87.45 0.28 12.27 52.96 18.80 14.50 12.05 1.30 0.00 0.07 0.33 46 K C T 146.64 3.39 12.88 18.15 97.57 -158.47 -63.24 -20.19 97.42 0.13 2.45 11.63 11.39 74.49 0.99 1.35 0.00 0.06 0.09 47 H C T 141.61 2.92 13.91 17.69 98.10 48.02 -86.87 29.51 97.67 0.14 2.19 8.88 15.76 73.11 0.73 1.37 0.00 0.07 0.09 48 D C C 52.07 9.47 10.36 21.53 107.32 124.25 -90.75 102.15 95.75 0.29 3.96 88.22 6.02 1.91 2.40 1.07 0.00 0.08 0.31 49 H H H 127.08 3.33 14.66 19.52 94.56 -173.01 -68.57 -31.52 31.96 0.14 67.89 10.75 5.57 16.02 60.20 7.30 0.01 0.05 0.10 50 H H H 117.90 2.73 17.37 20.03 92.61 56.59 -66.90 -35.90 22.81 0.09 77.10 5.04 2.98 14.43 70.91 6.53 0.02 0.04 0.06 51 S H H 22.03 12.90 13.41 27.47 92.14 53.73 -65.32 -39.21 11.96 0.08 87.96 5.13 1.63 5.00 82.54 5.62 0.00 0.04 0.04 52 R H H 106.22 9.63 17.55 27.61 91.93 52.99 -63.60 -40.97 3.96 0.03 96.02 1.62 0.62 1.73 94.55 1.46 0.00 0.01 0.01 53 R H H 141.26 1.88 21.99 22.40 91.73 50.58 -64.42 -41.77 1.09 0.00 98.91 0.26 0.12 0.56 98.71 0.34 0.00 0.00 0.00 54 G H H 21.66 8.22 18.93 28.44 91.85 50.44 -64.08 -41.91 0.80 0.00 99.20 0.16 0.07 0.45 99.07 0.25 0.00 0.00 0.00 55 L H H 24.03 18.08 16.06 34.05 91.95 50.56 -64.26 -41.68 0.36 0.00 99.64 0.06 0.03 0.20 99.57 0.15 0.00 0.00 0.00 56 L H H 88.63 5.13 21.64 27.16 91.53 50.76 -63.97 -40.96 0.21 0.00 99.79 0.03 0.01 0.13 99.75 0.08 0.00 0.00 0.00 57 L H H 89.25 3.02 22.66 24.55 91.77 49.70 -64.48 -41.54 0.31 0.00 99.69 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 58 L H H 26.31 15.10 18.28 33.93 91.67 49.60 -64.63 -42.21 0.41 0.00 99.59 0.04 0.02 0.28 99.58 0.08 0.00 0.00 0.00 59 V H H 33.14 14.20 18.73 33.33 91.54 50.09 -63.74 -42.13 0.38 0.00 99.62 0.04 0.02 0.25 99.62 0.07 0.00 0.00 0.00 60 G H H 33.54 2.88 22.37 24.55 91.25 50.97 -63.07 -42.11 0.82 0.00 99.18 0.07 0.04 0.59 99.23 0.08 0.00 0.00 0.00 61 R H H 101.34 6.72 21.67 28.72 91.70 49.40 -64.86 -41.23 0.48 0.00 99.52 0.05 0.02 0.31 99.55 0.07 0.00 0.00 0.00 62 R H H 39.68 18.48 17.19 35.10 91.88 50.89 -63.84 -41.67 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 63 R H H 115.67 7.13 21.33 29.04 91.48 51.67 -63.18 -41.12 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 64 R H H 128.27 2.43 23.72 24.87 91.54 50.26 -64.33 -41.70 0.16 0.00 99.84 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 65 L H H 24.24 15.57 19.20 35.20 91.64 49.95 -64.52 -42.41 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 66 L H H 26.10 17.24 17.83 35.06 91.43 51.47 -63.12 -41.12 0.27 0.00 99.73 0.02 0.01 0.19 99.66 0.12 0.00 0.00 0.00 67 K H H 118.92 2.47 23.42 24.95 91.55 51.02 -63.77 -40.96 0.65 0.00 99.35 0.04 0.03 0.51 99.02 0.40 0.00 0.00 0.00 68 Y H H 80.27 7.08 20.36 28.44 91.89 50.30 -64.37 -41.88 1.13 0.00 98.87 0.08 0.06 0.90 98.09 0.87 0.00 0.00 0.00 69 V H H 11.29 20.07 13.99 34.21 92.01 49.82 -66.31 -38.87 2.26 0.00 97.74 0.17 0.15 1.75 96.25 1.67 0.00 0.00 0.00 70 A H H 49.74 9.91 15.90 26.73 91.23 57.35 -66.53 -27.37 16.16 0.01 83.82 0.56 0.58 14.80 82.20 1.84 0.01 0.00 0.01 71 Q H H 137.17 1.30 19.11 19.09 93.35 53.29 -77.98 -16.34 40.50 0.03 59.47 1.28 2.02 36.10 58.94 1.62 0.01 0.01 0.02 72 V C S 58.06 11.37 12.20 24.13 109.24 65.85 -93.37 103.21 76.88 0.30 22.82 10.17 48.40 13.97 26.31 0.80 0.01 0.06 0.30 73 D C C 83.34 4.43 17.35 22.45 109.11 -71.18 -94.87 107.28 98.25 0.24 1.50 96.36 1.21 0.77 1.33 0.10 0.00 0.06 0.17 74 V H H 66.22 11.96 11.73 24.46 94.04 -157.84 -62.58 -37.27 1.50 0.00 98.50 0.31 0.16 0.78 98.46 0.29 0.00 0.00 0.00 75 A H H 75.51 1.56 18.74 19.16 91.65 53.35 -63.76 -41.23 0.70 0.00 99.30 0.05 0.04 0.52 99.04 0.34 0.00 0.00 0.00 76 R H H 110.30 5.03 18.38 24.15 92.04 48.05 -66.07 -40.40 0.32 0.00 99.68 0.04 0.02 0.22 99.34 0.39 0.00 0.00 0.00 77 Y H H 19.46 19.82 13.46 33.27 91.74 51.17 -63.03 -43.29 0.13 0.00 99.87 0.02 0.01 0.07 99.79 0.11 0.00 0.00 0.00 78 R H H 110.16 7.08 19.91 27.74 91.34 51.20 -62.90 -41.39 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 79 S H H 53.86 2.38 21.71 22.92 91.47 50.54 -63.56 -42.38 0.21 0.00 99.79 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 80 L H H 20.65 14.41 17.40 33.00 91.73 49.93 -64.07 -43.07 0.25 0.00 99.75 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 81 I H H 18.50 17.61 14.61 32.71 91.82 49.89 -63.78 -42.89 0.38 0.00 99.62 0.05 0.02 0.23 99.56 0.14 0.00 0.00 0.00 82 E H H 129.74 1.96 18.72 20.46 91.71 49.34 -64.18 -40.98 0.93 0.00 99.06 0.08 0.05 0.67 98.78 0.41 0.00 0.00 0.00 83 R H H 145.50 3.03 17.23 20.81 91.52 51.14 -65.80 -34.28 4.44 0.00 95.55 0.15 0.17 4.07 95.11 0.49 0.00 0.00 0.00 84 L H H 40.33 15.15 12.24 27.77 93.74 48.21 -86.91 -6.89 46.19 0.03 53.77 0.61 1.52 43.36 53.44 1.03 0.01 0.01 0.03 85 G C T 51.38 2.40 19.54 21.65 96.65 -114.63 75.85 19.87 97.92 0.05 2.03 6.13 3.19 88.81 1.50 0.33 0.00 0.02 0.02 86 L C C 42.45 16.81 8.66 24.49 112.33 142.87 -89.04 123.19 95.42 0.80 3.78 78.94 8.88 7.82 1.85 1.64 0.00 0.38 0.50 87 R C C 153.65 3.36 14.28 19.14 117.09 -158.91 -99.77 139.17 95.15 1.91 2.94 88.62 1.83 5.32 1.34 0.97 0.00 0.95 0.98 88 R C C 154.75 5.52 13.56 20.92 109.94 -114.69 -77.46 129.96 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00