# 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 R C C 149.16 4.71 13.47 19.75 113.67 -153.79 -95.05 127.46 98.89 0.94 0.17 98.62 0.34 0.23 0.08 0.03 0.00 0.49 0.21 1 A C C 64.01 7.37 8.80 17.37 110.40 -138.52 -86.03 124.50 91.39 1.92 6.70 84.20 1.67 6.42 3.34 2.41 0.00 1.11 0.84 2 D C C 110.97 2.46 11.08 14.91 106.60 -134.61 -88.16 63.94 89.22 1.84 8.93 61.82 11.86 15.83 3.83 4.72 0.00 0.96 0.97 3 G C C 49.90 3.64 10.75 15.86 109.12 75.47 -85.54 -21.89 82.20 1.84 15.96 44.60 17.09 20.98 6.65 8.73 0.00 0.87 1.07 4 F C C 143.87 3.62 10.59 15.73 103.70 23.69 -84.82 10.15 75.22 3.48 21.29 40.12 15.78 20.03 10.57 9.88 0.03 1.66 1.93 5 I C T 107.84 5.26 10.59 17.32 106.13 72.12 -87.06 54.90 75.52 4.03 20.45 28.47 16.96 31.03 11.44 7.98 0.07 2.00 2.07 6 G C C 44.86 5.29 12.92 19.29 106.37 40.19 -20.13 -14.16 81.60 2.46 15.94 34.92 20.46 27.25 9.55 5.40 0.01 1.09 1.32 7 S C C 54.50 5.50 12.36 19.37 113.18 94.63 -82.58 154.36 73.21 1.63 25.16 51.63 16.13 4.68 23.97 2.13 0.00 0.55 0.91 8 T H H 95.07 2.96 14.88 18.48 95.00 -106.70 -64.86 -32.69 22.91 0.37 76.72 11.83 5.50 6.46 74.38 1.50 0.02 0.15 0.16 9 T H H 60.43 7.98 14.74 23.78 93.98 55.03 -67.22 -39.05 10.17 0.15 89.68 4.41 1.71 4.22 88.35 1.18 0.01 0.07 0.05 10 N H H 57.02 10.90 14.48 26.09 92.84 53.28 -66.16 -38.78 4.74 0.09 95.18 2.49 0.65 1.75 94.14 0.89 0.00 0.05 0.02 11 L H H 95.21 3.48 18.28 22.09 92.47 51.54 -65.77 -40.32 1.53 0.03 98.45 0.63 0.19 0.66 98.11 0.39 0.00 0.01 0.00 12 I H H 85.42 4.26 19.01 23.65 92.35 49.72 -65.34 -41.94 0.64 0.01 99.34 0.21 0.07 0.29 99.26 0.15 0.00 0.01 0.00 13 M H H 54.94 12.76 16.77 29.93 92.21 49.78 -64.75 -42.04 0.41 0.00 99.58 0.11 0.04 0.20 99.56 0.09 0.00 0.00 0.00 14 V H H 63.89 8.29 18.63 27.62 92.07 49.97 -63.88 -42.05 0.38 0.00 99.62 0.08 0.03 0.20 99.63 0.07 0.00 0.00 0.00 15 A H H 61.58 2.65 21.76 23.42 91.79 49.30 -64.92 -41.30 0.33 0.00 99.67 0.05 0.02 0.19 99.70 0.05 0.00 0.00 0.00 16 S H H 40.23 8.27 19.10 28.22 92.26 49.49 -65.55 -41.26 0.48 0.00 99.52 0.06 0.03 0.29 99.57 0.05 0.00 0.00 0.00 17 T H H 35.24 14.17 17.73 32.04 92.19 50.03 -64.68 -41.77 0.47 0.00 99.53 0.05 0.03 0.29 99.57 0.05 0.00 0.00 0.00 18 A H H 56.25 4.59 20.95 25.62 91.66 50.56 -63.61 -41.59 0.40 0.00 99.60 0.05 0.03 0.24 99.63 0.06 0.00 0.00 0.00 19 A H H 58.88 3.36 21.29 24.31 91.83 49.84 -64.82 -41.93 0.46 0.00 99.54 0.06 0.03 0.29 99.52 0.09 0.00 0.00 0.00 20 F H H 66.73 11.85 17.82 30.10 92.11 49.71 -64.75 -41.51 0.73 0.01 99.26 0.12 0.06 0.49 99.09 0.23 0.00 0.00 0.00 21 L H H 68.37 9.85 18.49 28.81 91.69 50.08 -63.99 -41.36 0.88 0.01 99.11 0.11 0.06 0.62 98.88 0.32 0.00 0.00 0.00 22 A H H 60.44 2.87 20.50 22.74 91.96 49.95 -64.33 -41.81 1.60 0.02 98.38 0.18 0.12 1.19 97.93 0.55 0.00 0.01 0.00 23 A H H 46.93 5.96 17.59 24.57 91.90 50.54 -65.08 -39.86 3.76 0.03 96.20 0.41 0.31 2.90 94.54 1.78 0.02 0.02 0.01 24 G H H 21.27 12.82 14.09 27.55 92.55 53.55 -66.15 -36.67 10.91 0.06 89.03 0.90 0.76 9.06 85.02 4.15 0.04 0.03 0.03 25 K H H 119.86 5.46 17.23 23.66 93.36 51.39 -71.33 -28.14 19.10 0.18 80.72 1.61 1.59 15.97 75.98 4.56 0.10 0.09 0.10 26 F H H 138.27 2.98 17.16 20.37 99.98 41.85 -92.26 -10.83 37.29 1.39 61.31 4.99 5.72 27.65 54.33 5.49 0.41 0.69 0.73 27 G C T 38.03 8.24 14.47 23.44 110.07 57.75 -85.29 7.05 63.12 3.16 33.72 15.34 10.28 37.58 28.69 4.98 0.17 1.60 1.36 28 L C C 85.31 8.84 13.41 23.17 111.98 -28.10 -94.60 115.25 72.91 8.98 18.11 35.74 22.15 16.06 12.59 4.64 0.17 3.76 4.90 29 A C C 48.52 8.38 12.55 22.48 116.49 -129.76 -82.73 141.68 84.32 3.47 12.21 55.74 20.75 7.66 8.23 4.17 0.01 1.62 1.82 30 P C T 86.12 5.72 12.80 19.98 99.92 -109.65 -65.28 -7.12 66.05 1.59 32.36 24.86 14.46 27.43 18.78 12.82 0.04 0.78 0.84 31 T C T 98.10 3.10 13.28 17.49 100.49 60.22 -85.95 -3.49 55.65 5.08 39.28 21.01 12.18 23.20 22.55 15.90 0.22 2.97 1.97 32 V C C 78.79 7.63 11.36 20.29 112.43 85.24 -94.84 120.12 49.18 12.19 38.63 24.07 12.64 14.15 23.59 13.82 0.43 7.78 3.52 33 K C C 110.29 7.89 12.08 21.12 112.41 -146.01 -95.94 117.44 56.71 12.00 31.28 33.57 12.10 11.63 21.11 9.96 0.17 7.68 3.76 34 R C C 148.45 5.29 13.05 20.20 112.05 -151.08 -82.10 131.44 71.64 7.56 20.80 32.12 14.52 25.53 13.78 6.80 0.10 4.70 2.44 35 G C C 49.68 4.49 14.50 20.19 104.31 15.27 82.82 5.98 83.52 4.22 12.26 39.91 16.88 27.76 5.73 5.73 0.01 2.30 1.68 36 T C C 70.69 9.54 11.27 21.54 110.14 131.14 -88.94 108.91 79.74 4.79 15.47 42.15 16.03 22.27 6.07 8.75 0.01 2.63 2.07 37 D C C 105.62 3.90 14.84 19.90 104.96 -148.54 -91.43 54.88 80.69 4.32 14.99 39.66 18.04 23.96 4.87 9.27 0.02 2.27 1.92 38 A C C 56.49 9.55 12.12 22.45 107.77 140.71 -84.31 97.36 80.44 3.94 15.62 44.57 17.42 18.89 4.37 10.90 0.00 2.12 1.73 39 A C C 66.52 7.08 14.61 22.67 107.85 -149.92 -81.02 80.62 82.57 5.73 11.70 45.62 18.92 18.48 3.17 8.29 0.01 3.31 2.21 40 C C C 56.61 12.27 11.92 24.42 118.09 88.19 -96.67 135.92 80.87 11.46 7.67 58.45 15.18 6.93 2.60 5.21 0.00 8.43 3.19 41 K C C 128.69 4.34 17.65 23.15 116.37 -139.08 -91.82 136.14 73.00 21.90 5.11 55.81 10.98 5.46 2.02 3.27 0.00 17.05 5.41 42 L C C 78.65 12.96 11.15 24.11 116.57 -142.39 -95.24 131.08 65.49 29.84 4.67 46.73 13.16 5.05 2.01 2.98 0.03 23.58 6.46 43 V C C 78.51 5.89 14.21 21.68 122.74 -163.21 -112.25 141.26 62.67 34.21 3.12 48.42 10.04 3.28 1.36 1.92 0.01 29.57 5.39 44 D C C 102.06 4.90 12.41 19.29 113.36 -121.22 -84.88 131.63 71.85 26.26 1.90 58.70 9.80 2.40 0.74 1.24 0.00 23.64 3.47 45 R C C 125.07 5.93 10.29 18.08 119.35 -157.96 -105.49 137.11 82.40 16.46 1.14 65.83 14.65 1.75 0.47 0.73 0.00 13.77 2.79 46 P C C 97.03 2.86 11.13 15.43 111.82 -106.96 -68.84 145.87 78.57 11.48 9.95 51.00 13.47 13.85 2.44 7.81 0.00 9.63 1.80 47 N C C 107.31 4.17 8.67 14.62 112.71 -123.65 -88.97 135.92 72.37 8.84 18.80 38.62 13.61 20.73 3.37 15.42 0.01 6.16 2.07 48 A C T 91.05 1.76 8.70 11.62 101.73 -137.65 -82.23 0.02 67.44 7.66 24.89 24.49 16.08 28.65 3.59 20.08 0.03 4.84 2.24 49 A C T 87.88 1.72 9.29 11.90 101.31 48.05 -88.40 12.25 78.61 2.21 19.18 15.54 18.91 44.38 2.49 16.42 0.01 1.21 1.03 50 G C T 58.04 1.84 11.09 13.77 101.53 -90.54 83.67 1.60 87.63 4.64 7.74 19.15 28.19 40.68 1.04 6.67 0.01 2.96 1.30 51 L C C 92.30 5.83 9.62 17.22 117.89 109.29 -97.87 135.96 66.52 29.24 4.24 43.92 14.08 9.09 1.18 3.47 0.03 21.82 6.40 52 I C C 103.18 5.64 12.87 20.30 120.89 -162.59 -111.12 136.16 58.32 39.30 2.38 40.71 13.11 4.02 1.02 1.71 0.05 29.55 9.83 53 S C C 45.89 11.36 11.28 23.25 121.02 -151.28 -100.90 150.08 68.97 29.63 1.39 52.35 11.32 4.18 0.47 1.06 0.00 24.79 5.82 54 N C C 119.16 3.29 16.88 21.09 100.59 -139.66 -89.36 7.82 84.94 14.50 0.56 45.31 36.36 4.17 0.12 0.51 0.00 11.21 2.32 55 D C C 55.97 11.83 12.20 24.83 119.85 113.04 -90.44 140.14 90.75 8.92 0.34 60.16 29.42 1.79 0.09 0.28 0.00 5.71 2.56 56 P C C 74.58 8.01 15.65 24.71 107.54 -105.74 -69.88 141.27 91.95 5.18 2.87 51.15 17.77 23.22 0.43 2.64 0.00 3.27 1.52 57 S C T 60.44 9.14 16.28 26.01 113.04 -132.22 -91.24 141.52 90.56 6.51 2.94 31.48 24.33 35.26 0.41 2.70 0.00 3.82 2.02 58 G C C 32.37 9.78 19.55 29.63 114.14 22.61 105.34 13.12 87.81 10.06 2.13 46.08 25.59 16.69 0.33 2.10 0.00 6.23 2.98 59 F C C 44.70 19.15 15.12 33.35 119.23 -94.38 -96.76 137.62 76.68 22.79 0.52 68.08 7.43 0.56 0.33 0.23 0.00 9.45 13.92 60 T C C 45.04 8.98 23.55 32.57 129.10 -153.63 -106.82 170.75 78.45 20.72 0.83 70.99 6.84 0.27 0.82 0.12 0.00 5.26 15.70 61 A H H 45.42 14.90 18.78 33.31 91.01 -97.23 -59.72 -37.78 1.10 0.00 98.90 0.12 0.15 0.73 98.80 0.21 0.00 0.00 0.00 62 V H H 75.33 6.64 23.61 30.64 91.81 53.25 -64.59 -41.03 0.37 0.00 99.63 0.04 0.03 0.25 99.49 0.19 0.00 0.00 0.00 63 D H H 34.89 14.79 22.24 36.72 91.83 49.93 -65.29 -41.18 0.11 0.00 99.89 0.01 0.01 0.07 99.77 0.14 0.00 0.00 0.00 64 T H H 14.34 21.47 21.24 41.77 92.12 49.77 -65.04 -42.87 0.05 0.00 99.95 0.00 0.00 0.03 99.91 0.05 0.00 0.00 0.00 65 L H H 58.24 13.34 24.82 37.58 91.82 49.78 -64.01 -42.10 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 66 A H H 43.54 8.02 26.41 34.83 91.47 50.16 -63.86 -42.11 0.25 0.00 99.75 0.01 0.01 0.19 99.73 0.06 0.00 0.00 0.00 67 F H H 47.59 15.74 25.84 40.89 91.94 48.13 -65.26 -41.55 0.78 0.00 99.22 0.04 0.02 0.65 99.16 0.13 0.00 0.00 0.00 68 G H H 7.31 21.56 22.98 43.51 91.97 51.74 -63.73 -42.91 2.67 0.00 97.33 0.11 0.10 2.23 97.36 0.19 0.00 0.00 0.00 69 A H H 37.36 11.89 26.07 37.98 91.84 50.24 -64.45 -42.06 1.93 0.00 98.07 0.19 0.13 1.47 98.01 0.19 0.00 0.00 0.00 70 L H H 73.15 6.57 28.12 35.28 91.47 49.68 -64.11 -42.46 0.57 0.00 99.42 0.08 0.05 0.38 99.39 0.10 0.00 0.00 0.00 71 G H H 10.40 17.69 23.17 40.45 91.84 50.27 -64.21 -42.25 0.49 0.00 99.50 0.08 0.03 0.32 99.48 0.09 0.00 0.00 0.00 72 H H H 35.30 19.38 22.97 41.09 91.64 50.56 -63.86 -42.25 0.35 0.00 99.65 0.06 0.02 0.23 99.62 0.06 0.00 0.00 0.00 73 I H H 79.76 7.51 26.63 34.49 91.70 49.40 -64.09 -42.82 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.02 0.00 0.00 0.00 74 A H H 47.39 6.81 26.64 33.85 91.65 48.70 -64.36 -42.38 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 75 G H H 7.50 19.43 21.02 40.28 91.86 50.42 -64.26 -42.46 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 76 V H H 39.63 15.29 22.94 37.62 91.39 49.85 -63.33 -42.63 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.02 0.00 0.00 0.00 77 G H H 34.64 4.71 25.26 29.90 91.46 50.32 -64.00 -42.42 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 78 I H H 60.96 9.76 23.36 33.32 91.79 48.98 -64.51 -42.36 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 79 V H H 21.68 18.63 19.16 37.64 91.75 49.22 -64.04 -42.90 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 80 L H H 69.31 7.43 21.89 29.78 91.31 49.72 -63.28 -42.05 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.04 0.00 0.00 0.00 81 G H H 31.59 3.71 20.62 24.39 91.44 50.22 -63.38 -41.71 0.58 0.00 99.41 0.04 0.02 0.43 99.40 0.11 0.00 0.00 0.00 82 L H H 38.92 11.25 15.47 28.09 91.93 49.67 -64.96 -40.81 1.31 0.00 98.68 0.12 0.08 0.98 98.52 0.29 0.00 0.00 0.00 83 R H H 108.36 9.47 14.64 24.77 91.73 51.80 -63.68 -40.52 3.06 0.01 96.93 0.30 0.22 2.40 96.17 0.88 0.01 0.01 0.01 84 A H H 84.16 1.76 14.86 16.90 91.04 52.51 -67.02 -27.44 13.64 0.03 86.33 0.57 0.63 12.62 85.05 1.08 0.02 0.01 0.02 85 T C T 90.89 2.66 12.58 16.14 94.02 51.39 -87.68 -1.66 73.30 0.08 26.63 0.77 2.27 68.99 26.54 1.33 0.01 0.02 0.07 86 G C T 57.51 2.16 12.70 15.99 95.95 -107.28 79.55 10.74 97.29 0.11 2.60 3.76 4.56 89.12 2.10 0.36 0.00 0.05 0.05 87 N C C 93.47 5.30 12.10 18.94 100.59 118.81 -89.43 1.62 98.77 0.70 0.53 95.45 1.43 2.05 0.23 0.14 0.00 0.29 0.40 88 L C C 67.50 14.52 12.03 25.90 107.77 90.79 -89.07 83.63 99.67 0.32 0.01 99.63 0.14 0.03 0.00 0.00 0.00 0.16 0.04