# 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 112.84 6.05 11.82 19.45 114.46 -156.53 -95.83 129.70 99.88 0.10 0.02 99.83 0.07 0.03 0.01 0.00 0.00 0.04 0.01 1 L C C 113.79 4.16 9.44 15.38 113.36 -157.98 -91.97 129.27 82.66 2.70 14.64 77.94 1.13 4.50 11.67 2.13 0.00 1.49 1.14 2 S C C 82.35 2.62 9.22 13.51 112.49 -152.41 -91.89 126.51 73.68 3.60 22.71 57.42 7.57 7.99 19.32 4.19 0.00 2.15 1.36 3 L C H 119.18 3.51 8.80 14.06 105.03 -157.17 -85.55 35.91 51.04 3.83 45.13 35.27 8.00 8.77 35.52 8.80 0.04 2.37 1.22 4 V H H 104.72 3.47 9.65 14.89 109.83 69.84 -90.69 112.98 42.86 4.19 52.95 27.78 7.21 9.28 40.75 10.95 0.06 2.80 1.18 5 A H H 75.61 3.87 10.02 15.59 109.94 -147.48 -88.27 125.07 43.03 3.59 53.38 27.09 7.03 10.19 40.90 11.32 0.05 2.32 1.09 6 A H H 75.78 4.28 9.87 15.84 108.96 -147.35 -89.31 100.79 46.87 2.99 50.14 28.23 8.30 11.78 38.57 10.25 0.06 1.72 1.09 7 A C C 78.24 3.92 10.21 15.89 105.89 -143.49 -84.06 68.34 59.58 2.60 37.81 33.91 10.50 15.57 28.69 8.82 0.04 1.41 1.07 8 G C C 51.17 4.04 10.98 16.58 110.65 65.49 -88.72 126.94 76.15 2.59 21.25 43.35 12.53 20.32 14.41 6.88 0.01 1.41 1.08 9 V C C 106.61 3.74 11.09 16.45 106.90 -140.25 -93.36 44.15 82.26 5.96 11.79 50.27 20.08 12.18 6.94 4.73 0.02 3.13 2.65 10 V C C 88.22 6.32 10.51 18.53 116.58 102.49 -97.59 129.10 95.22 4.06 0.72 59.99 34.98 1.00 0.41 0.29 0.00 2.01 1.30 11 P C C 75.94 6.99 11.09 19.71 112.21 -111.13 -68.09 146.32 95.72 2.55 1.73 86.66 6.25 3.00 0.56 1.00 0.00 1.67 0.84 12 N C C 118.60 3.35 12.34 17.27 106.17 -137.04 -89.65 80.76 92.95 3.51 3.54 67.33 19.63 5.82 1.21 2.32 0.00 1.71 1.97 13 T C C 83.88 5.71 11.01 18.33 113.90 89.73 -101.74 120.71 89.46 3.84 6.70 62.24 21.38 5.69 2.19 4.51 0.00 2.02 1.95 14 V C C 92.88 6.07 12.29 19.72 110.77 -141.85 -91.71 119.07 87.75 2.64 9.62 47.96 27.29 12.74 2.34 7.20 0.00 1.49 0.97 15 T C C 97.40 3.34 15.73 20.31 114.44 -117.10 -91.40 131.57 88.47 2.89 8.65 56.57 18.96 12.89 2.47 6.31 0.00 1.65 1.15 16 W C C 78.84 16.88 9.32 25.02 116.45 -130.78 -87.76 132.93 91.12 2.91 5.97 73.76 13.44 3.30 3.52 2.41 0.00 1.05 2.52 17 G C C 31.25 4.93 16.98 22.74 123.52 -148.54 -91.61 168.68 96.52 0.42 3.06 90.26 5.29 0.67 3.14 0.23 0.00 0.13 0.28 18 P H H 96.42 4.42 14.36 20.04 92.36 -97.86 -61.15 -33.86 14.12 0.03 85.84 1.43 1.63 10.66 85.25 0.97 0.02 0.01 0.02 19 N H H 106.95 2.23 18.21 20.32 92.53 54.48 -66.29 -38.00 10.00 0.04 89.96 0.97 0.98 7.95 89.22 0.80 0.03 0.01 0.03 20 V H H 30.15 14.18 15.52 30.32 92.82 49.43 -66.76 -41.36 1.99 0.01 98.00 0.45 0.23 1.15 97.85 0.29 0.00 0.00 0.01 21 A H H 23.25 15.29 15.74 31.46 91.62 53.15 -62.94 -42.06 0.32 0.00 99.68 0.10 0.02 0.13 99.69 0.05 0.00 0.00 0.00 22 I H H 95.36 3.19 22.73 25.10 91.55 50.22 -64.38 -41.69 0.09 0.00 99.91 0.02 0.00 0.04 99.92 0.02 0.00 0.00 0.00 23 V H H 62.14 6.63 21.75 28.79 91.76 49.19 -64.54 -42.59 0.03 0.00 99.97 0.01 0.00 0.01 99.97 0.01 0.00 0.00 0.00 24 M H H 18.12 21.03 17.32 37.99 91.68 49.66 -64.29 -42.43 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 25 I H H 64.15 11.40 21.22 32.58 91.49 49.86 -63.22 -42.27 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 26 I H H 98.80 2.19 25.35 25.77 91.38 48.69 -64.35 -42.44 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 27 C H H 28.31 11.88 20.32 33.10 91.82 49.30 -64.73 -42.23 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 28 N H H 17.98 20.50 17.73 37.78 91.81 50.62 -64.01 -41.79 0.27 0.00 99.73 0.03 0.01 0.18 99.76 0.02 0.00 0.00 0.00 29 L H H 84.36 5.80 23.24 29.05 91.37 50.19 -63.89 -41.87 0.18 0.00 99.82 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 30 I H H 93.60 2.93 24.66 26.60 91.68 48.68 -64.31 -42.54 0.14 0.00 99.86 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 31 A H H 15.66 16.24 17.96 34.74 91.34 50.33 -64.01 -42.63 0.18 0.00 99.82 0.02 0.01 0.12 99.77 0.08 0.00 0.00 0.00 32 F H H 62.94 14.73 19.49 33.79 91.64 49.54 -63.61 -41.89 0.26 0.00 99.74 0.02 0.01 0.22 99.62 0.13 0.00 0.00 0.00 33 A H H 60.22 2.94 23.20 25.18 91.60 50.40 -64.15 -42.49 0.72 0.00 99.28 0.03 0.03 0.64 99.08 0.22 0.00 0.00 0.00 34 I H H 79.87 4.90 22.01 27.06 91.90 47.90 -65.20 -41.18 2.41 0.00 97.58 0.13 0.13 2.05 97.22 0.47 0.00 0.00 0.00 35 G H H 7.96 17.72 15.03 33.24 92.03 52.75 -64.26 -41.47 4.53 0.02 95.44 0.65 0.39 3.24 93.01 2.67 0.01 0.01 0.01 36 K H H 91.02 9.14 18.91 28.59 91.83 53.30 -64.04 -39.05 6.44 0.03 93.53 0.63 0.49 5.14 88.65 5.03 0.02 0.02 0.01 37 Q H H 107.57 2.42 21.06 22.63 92.16 51.86 -66.72 -37.76 10.00 0.07 89.94 1.01 0.89 7.94 84.81 5.23 0.06 0.03 0.03 38 V H H 52.42 9.88 15.96 26.90 93.54 50.35 -70.51 -33.81 19.85 0.26 79.89 2.57 2.45 15.26 75.11 4.20 0.14 0.12 0.15 39 I H H 52.00 15.11 12.32 27.10 98.43 54.97 -80.70 -24.02 44.87 1.68 53.44 12.83 8.96 25.42 47.15 3.75 0.24 0.68 0.98 40 Q C T 126.44 2.98 16.87 20.55 94.95 85.38 -73.14 -28.47 66.61 1.17 32.23 18.86 18.53 29.73 28.46 3.23 0.07 0.41 0.71 41 I C C 93.13 4.37 13.94 19.70 109.08 39.71 -118.60 84.52 98.51 0.65 0.84 51.57 45.73 1.20 0.55 0.22 0.00 0.17 0.56 42 P C T 75.56 9.89 10.89 21.78 100.25 -162.14 -65.42 -17.10 84.73 0.51 14.76 21.27 6.84 55.78 1.81 13.75 0.00 0.29 0.27 43 D C T 121.80 1.68 15.19 17.14 96.92 51.01 -83.93 7.60 85.12 0.77 14.11 15.94 9.60 58.47 1.68 13.50 0.00 0.43 0.38 44 A C C 53.70 7.86 12.14 21.42 107.81 102.51 -88.86 63.15 82.14 2.39 15.47 45.50 24.41 11.82 2.87 12.68 0.00 1.05 1.66 45 G C C 32.80 6.47 14.80 22.64 130.77 -110.75 120.05 176.21 96.67 2.63 0.71 61.01 32.59 3.06 0.17 0.58 0.00 1.21 1.39 46 P C C 80.90 6.86 13.66 21.76 112.33 -52.56 -70.32 146.68 94.66 4.21 1.13 73.75 17.06 3.50 0.30 0.89 0.00 1.98 2.51 47 A C C 59.28 7.05 11.83 20.49 118.10 -133.38 -97.70 138.61 93.50 5.47 1.03 76.71 13.94 2.22 0.36 0.68 0.00 2.16 3.93 48 P C C 96.52 3.98 11.47 17.20 108.55 -106.12 -67.93 140.40 85.96 2.02 12.02 34.87 18.25 33.12 2.47 9.16 0.00 0.94 1.18 49 G C T 58.21 2.01 12.23 15.10 105.37 19.85 72.66 -19.71 80.80 1.51 17.69 24.37 20.15 36.80 3.49 13.46 0.01 0.66 1.07 50 T C T 98.27 3.11 10.89 15.26 100.89 49.25 -82.33 -17.49 73.17 2.76 24.06 21.73 21.54 30.99 5.00 17.59 0.03 1.22 1.90 51 F C T 122.93 6.05 10.31 17.75 106.51 39.16 -94.29 43.38 70.15 5.71 24.14 24.77 18.87 28.13 5.75 16.33 0.08 2.50 3.56 52 L C T 116.49 3.84 14.03 19.27 106.75 -126.01 -84.20 63.96 80.69 3.15 16.16 19.30 19.08 42.64 4.80 10.55 0.04 1.47 2.12 53 G C T 39.17 7.15 15.98 23.96 112.98 -47.19 90.91 0.55 89.14 2.51 8.34 27.72 24.41 37.69 2.74 4.94 0.01 1.23 1.26 54 L C C 51.71 16.17 12.43 28.10 115.03 -30.21 -92.07 127.98 88.46 7.74 3.80 71.89 12.16 2.94 2.50 1.28 0.00 2.50 6.74 55 G C C 26.67 8.03 19.94 28.33 125.48 -151.77 -93.17 171.70 89.94 3.64 6.43 75.69 11.28 1.63 6.78 0.55 0.00 0.81 3.27 56 L H H 85.96 10.75 17.84 28.67 92.86 -90.23 -61.01 -38.88 2.65 0.01 97.34 0.61 0.50 1.33 97.26 0.29 0.00 0.00 0.00 57 P H H 68.32 6.32 21.03 27.84 91.77 52.57 -63.89 -39.99 1.06 0.00 98.93 0.19 0.09 0.66 98.75 0.31 0.00 0.00 0.00 58 A H H 25.85 13.79 19.25 33.36 92.02 50.65 -64.94 -40.77 0.26 0.00 99.74 0.04 0.02 0.15 99.55 0.24 0.00 0.00 0.00 59 L H H 40.01 16.83 20.46 36.52 91.52 49.64 -63.69 -42.47 0.14 0.00 99.86 0.02 0.01 0.08 99.78 0.11 0.00 0.00 0.00 60 L H H 70.12 9.57 24.37 33.91 91.78 49.79 -64.02 -42.07 0.23 0.00 99.76 0.03 0.01 0.15 99.72 0.09 0.00 0.00 0.00 61 G H H 25.18 8.47 24.14 33.08 91.73 50.25 -64.27 -42.21 0.79 0.00 99.21 0.07 0.04 0.59 99.08 0.22 0.00 0.00 0.00 62 V H H 29.42 16.36 23.14 38.95 92.40 48.90 -65.52 -41.59 2.14 0.01 97.86 0.18 0.12 1.73 97.49 0.47 0.00 0.00 0.00 63 T H H 34.23 16.73 23.95 39.57 92.02 50.98 -64.34 -41.71 5.89 0.02 94.09 0.49 0.40 4.85 93.58 0.66 0.01 0.00 0.01 64 S H H 44.68 9.21 25.62 34.92 92.13 50.26 -64.46 -41.89 8.15 0.05 91.80 1.20 0.85 6.11 91.03 0.74 0.02 0.02 0.03 65 L H H 66.24 8.48 26.55 35.29 92.03 49.08 -64.91 -41.91 2.95 0.01 97.04 0.55 0.37 1.91 96.69 0.45 0.00 0.00 0.01 66 G H H 9.52 18.53 21.68 39.62 91.56 51.46 -63.27 -42.43 1.97 0.01 98.02 0.43 0.21 1.23 97.71 0.40 0.00 0.00 0.00 67 H H H 58.07 16.17 23.27 38.25 91.81 50.57 -64.57 -41.57 1.67 0.01 98.32 0.33 0.16 1.13 97.94 0.43 0.00 0.01 0.00 68 A H H 54.55 6.41 26.23 32.78 91.77 49.58 -63.97 -42.61 1.34 0.01 98.65 0.22 0.12 0.92 98.42 0.31 0.00 0.00 0.00 69 I H H 69.71 8.38 26.02 34.69 91.70 47.43 -64.74 -42.11 1.75 0.01 98.24 0.27 0.14 1.22 98.12 0.23 0.00 0.00 0.00 70 G H H 6.15 20.66 20.17 40.43 91.53 50.55 -64.00 -42.32 1.52 0.00 98.48 0.24 0.10 0.98 98.51 0.15 0.00 0.00 0.00 71 V H H 48.54 13.45 23.38 36.44 91.76 49.97 -63.08 -42.31 0.35 0.00 99.65 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 72 G H H 35.39 4.26 25.85 29.89 91.50 50.33 -63.72 -42.22 0.23 0.00 99.77 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 73 A H H 28.94 12.44 22.45 35.03 91.85 49.70 -64.53 -42.54 0.27 0.00 99.72 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 74 I H H 22.37 19.91 19.50 38.81 91.68 48.82 -63.33 -43.00 0.37 0.00 99.62 0.03 0.02 0.25 99.62 0.08 0.00 0.00 0.00 75 L H H 75.58 6.74 22.94 29.95 91.53 49.52 -63.17 -42.06 0.93 0.01 99.07 0.11 0.06 0.63 99.00 0.19 0.00 0.00 0.00 76 G H H 31.33 3.95 21.15 25.26 91.46 50.14 -63.95 -41.87 3.35 0.01 96.64 0.33 0.22 2.61 96.17 0.65 0.01 0.00 0.00 77 L H H 32.65 12.72 15.96 29.82 91.95 49.05 -65.88 -40.95 5.42 0.06 94.52 0.82 0.60 3.99 92.78 1.72 0.03 0.03 0.02 78 A H H 40.40 11.33 13.90 26.04 91.80 52.32 -64.14 -40.62 9.58 0.12 90.31 1.44 1.02 7.22 86.43 3.70 0.07 0.06 0.05 79 N H H 120.49 1.56 15.72 17.19 91.31 53.06 -67.63 -26.63 24.37 0.16 75.47 1.88 1.74 21.02 71.52 3.58 0.09 0.07 0.09 80 I C T 109.06 3.14 12.67 16.81 94.54 53.57 -86.68 -3.54 72.30 0.23 27.47 1.84 4.50 64.98 25.25 3.12 0.02 0.09 0.20 81 G C T 56.86 2.31 13.04 16.55 96.33 -112.00 77.26 12.34 96.82 0.24 2.94 6.50 6.55 83.99 2.13 0.60 0.00 0.12 0.11 82 V C C 83.17 5.97 12.33 19.86 98.19 122.22 -85.25 -10.73 97.61 1.50 0.89 92.17 2.15 3.50 0.47 0.20 0.00 0.70 0.81 83 L C C 60.37 15.55 12.07 26.74 107.84 77.74 -92.77 103.64 99.63 0.36 0.01 99.60 0.14 0.03 0.01 0.00 0.00 0.19 0.04