# 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 126.26 3.99 10.54 16.33 115.81 -159.44 -97.19 134.69 99.81 0.12 0.07 99.71 0.11 0.06 0.04 0.00 0.00 0.05 0.02 1 A C C 83.98 2.63 8.80 13.21 113.23 -128.66 -81.92 138.08 76.01 3.36 20.64 71.95 1.13 4.31 16.78 2.62 0.00 2.10 1.11 2 A C C 86.78 2.24 7.65 11.65 113.55 -135.68 -93.82 130.57 63.99 8.18 27.83 48.35 7.61 7.51 21.93 6.55 0.03 5.74 2.27 3 V C C 109.02 3.11 7.81 12.81 114.92 -151.46 -98.95 128.32 53.95 12.35 33.71 38.41 7.94 7.21 25.43 8.86 0.07 9.72 2.36 4 C C C 91.65 3.07 9.21 13.99 115.66 -158.54 -99.50 134.49 52.05 11.54 36.41 36.99 7.72 7.25 27.78 8.96 0.06 9.07 2.18 5 V C C 100.41 4.40 8.91 15.04 111.81 -154.32 -95.65 123.48 52.75 7.28 39.97 35.53 9.04 8.38 31.36 8.74 0.05 5.24 1.65 6 S C C 80.55 3.28 10.25 15.05 107.32 -148.75 -88.45 67.73 57.58 4.84 37.58 35.39 11.27 11.23 30.08 7.52 0.05 3.15 1.30 7 S C C 80.50 3.37 10.12 15.05 107.21 108.65 -91.97 68.55 60.87 4.01 35.12 35.74 14.38 11.20 28.49 6.56 0.05 2.39 1.20 8 K C C 138.84 3.27 10.42 15.41 109.54 83.83 -88.99 110.20 62.14 4.32 33.54 41.28 11.73 9.01 28.56 5.42 0.02 2.65 1.33 9 A C C 74.13 4.24 9.47 15.48 109.39 -110.43 -83.32 120.28 66.42 5.05 28.54 48.57 8.93 8.19 24.21 5.24 0.01 3.25 1.59 10 V C C 103.29 4.01 9.44 15.13 110.78 -130.96 -89.92 118.79 68.00 6.38 25.62 45.05 12.18 10.44 20.57 5.64 0.03 4.09 2.01 11 A C C 82.73 2.80 9.85 14.30 109.67 -131.04 -87.41 117.33 75.04 6.26 18.71 45.72 17.29 11.79 14.60 4.62 0.04 3.94 1.99 12 V C C 104.35 3.59 9.23 14.65 115.30 -140.76 -96.90 128.38 80.94 6.55 12.51 53.76 20.08 6.67 10.02 2.98 0.02 3.58 2.89 13 R C C 152.03 3.52 9.68 15.16 115.83 -129.65 -86.41 136.84 92.35 2.54 5.11 75.86 13.83 2.51 4.06 1.29 0.00 1.53 0.92 14 P C C 92.36 4.03 9.70 15.58 111.61 -109.39 -67.16 146.13 89.61 2.36 8.03 82.14 3.83 4.10 4.90 2.66 0.00 1.56 0.81 15 A C C 82.42 3.26 9.42 14.45 105.42 -123.22 -79.54 38.87 87.64 2.48 9.87 77.71 5.65 4.72 5.56 3.85 0.00 1.53 0.99 16 T C C 97.38 3.18 9.50 14.38 110.26 -107.26 -90.96 120.12 91.18 2.19 6.62 84.73 4.19 2.88 4.13 1.97 0.00 1.51 0.61 17 R C C 168.32 2.51 9.43 13.63 109.62 -145.33 -89.49 109.82 90.11 3.37 6.51 85.21 2.82 2.61 4.73 1.46 0.00 2.21 0.96 18 V C C 103.92 3.74 8.90 14.47 113.23 -153.76 -96.22 129.20 93.39 2.94 3.67 89.79 2.44 1.54 2.92 0.63 0.00 1.94 0.75 19 A C C 80.19 3.05 9.23 14.04 114.33 -139.31 -91.51 135.73 93.53 2.47 4.00 88.40 3.32 2.04 3.24 0.71 0.00 1.67 0.64 20 S C C 80.02 3.32 9.30 14.53 113.85 -131.00 -89.58 136.51 91.13 3.00 5.87 83.04 5.37 2.66 5.08 0.93 0.00 1.87 1.06 21 R C C 151.57 3.60 9.59 15.04 115.26 -132.37 -92.24 135.48 91.24 1.94 6.82 82.84 6.35 1.88 6.36 0.81 0.00 1.04 0.73 22 P C C 87.15 4.52 9.86 16.02 104.45 -109.47 -67.24 145.61 80.98 1.40 17.62 72.27 3.60 4.91 15.40 2.51 0.00 0.82 0.49 23 A C C 77.71 2.97 10.61 14.78 100.69 -114.72 -74.18 -30.83 66.51 1.16 32.33 53.34 5.77 7.29 27.81 4.71 0.00 0.64 0.43 24 A C C 71.43 3.65 10.25 15.29 102.65 42.84 -76.85 -26.04 53.86 1.74 44.40 40.03 6.94 7.13 37.56 6.72 0.01 1.07 0.53 25 R C H 150.03 3.58 10.87 15.80 104.27 -42.85 -81.42 7.33 50.09 3.22 46.69 39.24 5.71 5.80 40.39 5.83 0.01 2.28 0.75 26 M H H 112.76 4.15 10.99 16.55 105.55 52.63 -83.15 51.34 44.59 5.06 50.35 36.22 4.96 4.27 45.61 4.16 0.01 3.94 0.83 27 V H H 92.76 3.84 12.15 17.22 104.62 51.99 -82.20 -31.18 40.23 8.69 51.08 32.81 4.37 3.86 47.29 3.28 0.02 7.23 1.14 28 V H H 84.86 5.28 11.35 18.07 101.86 51.22 -76.99 -31.42 40.51 8.82 50.66 33.51 3.97 3.67 47.18 3.13 0.02 7.42 1.10 29 R H H 142.85 3.93 13.17 18.32 100.33 52.69 -77.38 -29.52 41.53 7.81 50.65 33.67 4.14 4.49 46.72 3.50 0.02 6.28 1.18 30 A C H 65.00 5.25 11.61 18.15 97.38 54.21 -71.10 -28.62 49.63 4.01 46.36 36.13 5.76 8.07 41.90 4.37 0.02 2.88 0.88 31 S C C 72.74 3.73 12.26 17.27 99.55 57.95 -80.74 -9.57 65.72 2.38 31.90 43.21 7.62 13.94 28.89 4.12 0.01 1.44 0.77 32 A C C 66.70 5.27 10.48 17.28 103.20 63.36 -81.65 17.48 78.28 1.68 20.05 53.53 13.02 10.68 17.70 3.48 0.00 0.90 0.70 33 K C C 128.83 3.48 11.94 16.99 112.19 75.47 -85.86 131.15 85.13 0.79 14.07 66.71 13.52 3.76 13.84 1.45 0.00 0.36 0.35 34 P C C 85.67 4.21 11.79 17.43 106.15 -105.12 -69.75 123.25 66.23 0.69 33.07 55.38 4.54 5.72 30.32 3.42 0.00 0.35 0.26 35 A C C 66.03 4.62 11.32 17.34 104.45 -99.92 -73.43 20.31 54.26 0.86 44.88 42.97 4.86 6.21 41.03 4.19 0.00 0.45 0.30 36 Q H H 109.70 3.49 12.46 17.02 102.19 52.74 -75.55 -21.78 43.37 1.09 55.53 35.99 3.49 4.70 51.02 3.87 0.00 0.60 0.33 37 I H H 101.26 3.75 12.38 17.34 95.47 53.93 -67.77 -38.24 15.92 0.42 83.66 12.33 2.20 2.49 81.08 1.57 0.00 0.21 0.11 38 S H H 63.81 3.55 13.96 18.39 94.88 51.60 -68.24 -37.76 10.88 0.31 88.80 7.90 1.41 2.32 86.78 1.34 0.00 0.17 0.08 39 E H H 105.42 4.47 14.27 19.80 93.95 51.58 -66.91 -39.39 5.61 0.18 94.21 3.74 0.76 1.51 92.71 1.12 0.00 0.11 0.05 40 K H H 122.72 2.99 15.58 19.18 93.26 51.66 -66.15 -40.18 4.08 0.15 95.77 2.52 0.54 1.28 94.59 0.94 0.00 0.09 0.03 41 A H H 56.93 3.80 15.75 20.37 92.69 51.19 -65.71 -40.24 4.50 0.22 95.28 2.54 0.56 1.61 94.12 0.97 0.00 0.15 0.04 42 I H H 81.54 5.46 15.63 22.22 92.83 50.58 -66.06 -41.11 4.98 0.30 94.72 2.70 0.66 1.82 93.59 0.95 0.01 0.22 0.06 43 A H H 53.89 5.14 16.17 22.37 92.59 51.44 -65.02 -40.66 6.62 0.32 93.07 3.23 0.85 2.60 92.03 0.99 0.01 0.23 0.07 44 A H H 61.55 3.20 17.26 20.78 92.60 51.20 -65.59 -40.32 9.97 0.34 89.69 4.43 1.34 4.23 88.52 1.17 0.01 0.21 0.09 45 G H H 36.93 4.38 16.53 21.69 93.43 50.50 -65.80 -41.08 13.24 0.49 86.28 7.34 1.79 4.44 84.69 1.31 0.01 0.30 0.13 46 V H H 76.38 5.66 16.39 22.97 93.15 49.53 -66.60 -40.58 10.70 0.80 88.50 6.70 1.43 3.14 86.71 1.27 0.01 0.58 0.15 47 S H H 62.14 4.00 17.04 21.66 93.01 51.85 -65.42 -41.01 8.88 0.76 90.36 5.65 1.16 2.60 88.53 1.32 0.01 0.62 0.11 48 A H H 64.73 2.96 17.21 20.35 92.91 50.78 -65.70 -40.71 7.46 0.67 91.87 4.54 0.99 2.45 89.82 1.52 0.01 0.59 0.09 49 A H H 57.35 4.70 15.96 21.58 93.26 51.16 -66.53 -39.87 6.84 0.67 92.48 3.90 0.94 2.51 90.16 1.77 0.01 0.61 0.09 50 A H H 57.15 5.24 15.52 21.85 93.10 51.54 -66.09 -39.53 6.68 0.63 92.69 3.53 0.98 2.69 89.81 2.30 0.01 0.58 0.09 51 A H H 64.39 3.55 15.67 19.93 93.21 51.99 -66.45 -37.44 9.12 0.63 90.25 4.17 1.35 4.16 86.29 3.34 0.02 0.55 0.12 52 A H H 65.76 3.80 14.81 19.53 93.74 53.12 -68.98 -32.77 15.28 1.12 83.61 6.37 2.32 7.44 77.71 4.97 0.05 0.86 0.28 53 S H H 67.06 4.89 13.78 19.93 96.09 55.51 -75.26 -24.21 24.93 2.29 72.78 11.37 4.10 11.23 64.52 6.39 0.08 1.72 0.59 54 L H H 104.62 4.58 12.83 18.83 100.54 62.36 -76.79 -16.64 35.65 4.88 59.47 18.07 6.14 13.73 50.55 6.63 0.12 3.52 1.23 55 A C H 75.12 3.65 12.89 17.91 102.38 65.68 -80.06 -6.01 48.74 5.94 45.32 25.83 9.39 15.71 37.92 5.50 0.14 3.68 1.83 56 L C C 106.75 4.40 11.77 17.82 111.74 87.23 -89.10 126.28 59.73 4.75 35.51 33.23 17.64 10.07 30.22 4.53 0.09 2.62 1.60 57 A C C 62.20 5.69 11.78 19.00 112.53 -114.29 -72.29 143.32 57.92 2.26 39.82 37.94 9.72 10.29 32.66 7.29 0.01 1.41 0.68 58 P C H 88.62 4.32 12.93 18.54 106.83 -106.59 -70.85 125.06 54.29 2.61 43.10 33.23 8.13 13.42 33.68 9.02 0.03 1.71 0.77 59 I H H 102.41 5.08 11.97 18.41 100.75 -113.31 -76.68 -25.16 42.89 4.84 52.28 26.52 7.76 10.01 38.59 12.42 0.07 3.30 1.33 60 A H H 63.05 4.92 11.97 18.35 100.49 53.63 -70.70 -32.39 41.85 4.58 53.57 25.44 7.32 10.30 39.19 13.25 0.07 3.23 1.20 61 E H H 120.07 3.84 12.78 17.88 100.08 56.61 -76.05 -20.73 46.79 5.65 47.57 27.57 7.79 12.51 34.71 11.89 0.08 3.93 1.53 62 A C C 62.03 6.03 10.99 18.55 100.18 68.00 -76.20 -18.10 59.27 3.51 37.22 37.92 8.94 12.90 28.33 8.53 0.03 2.10 1.25 63 A C C 75.74 3.56 11.84 16.85 100.86 67.84 -80.91 -9.11 75.53 2.74 21.73 49.53 10.43 14.98 17.15 5.28 0.01 1.52 1.10 64 V C C 99.99 3.68 11.33 16.32 104.99 80.14 -89.27 12.13 84.18 2.85 12.96 54.16 20.50 9.23 10.09 3.26 0.01 1.28 1.47 65 T C C 69.65 4.76 11.10 17.58 115.33 53.11 -98.86 129.39 92.41 0.95 6.64 73.74 15.73 2.31 6.36 0.95 0.00 0.36 0.55 66 P H H 86.80 4.05 12.26 17.79 98.07 -131.03 -64.62 -31.65 36.79 0.55 62.66 17.69 5.70 14.40 56.06 5.62 0.02 0.28 0.25 67 S H H 68.56 3.41 13.14 17.50 95.57 59.09 -68.87 -36.20 29.48 0.59 69.93 11.34 4.51 14.71 62.23 6.56 0.06 0.32 0.27 68 L H H 87.55 5.10 12.72 19.15 94.18 52.18 -69.14 -36.97 14.89 0.42 84.69 7.68 2.54 5.78 76.98 6.59 0.02 0.25 0.15 69 K H H 118.08 3.48 14.83 19.30 92.69 54.70 -66.22 -39.47 6.80 0.15 93.05 3.51 1.10 2.60 90.12 2.53 0.01 0.09 0.05 70 N H H 82.36 4.59 15.38 20.81 93.81 51.16 -68.10 -38.87 6.81 0.16 93.02 3.07 1.05 3.08 90.39 2.25 0.01 0.09 0.06 71 F H H 99.64 6.09 15.40 22.41 92.42 50.41 -66.01 -41.02 4.33 0.09 95.58 1.69 0.64 2.16 93.93 1.49 0.01 0.05 0.03 72 L H H 88.36 3.58 17.21 21.30 92.20 50.09 -64.89 -41.23 2.39 0.03 97.57 0.88 0.31 1.18 96.89 0.72 0.00 0.02 0.01 73 G H H 34.43 4.03 17.67 22.35 92.25 50.24 -65.02 -40.64 2.63 0.03 97.34 0.84 0.29 1.47 96.68 0.71 0.00 0.01 0.01 74 S H H 49.23 6.62 16.41 23.97 92.66 51.03 -65.98 -40.27 3.10 0.03 96.86 0.82 0.34 1.91 96.11 0.78 0.00 0.02 0.01 75 L H H 84.63 5.31 17.92 23.84 92.43 50.11 -65.35 -41.67 2.86 0.04 97.10 0.60 0.30 1.93 96.51 0.61 0.01 0.02 0.01 76 I H H 94.30 2.87 19.84 22.25 92.24 49.27 -64.86 -42.30 1.81 0.02 98.17 0.42 0.20 1.10 97.96 0.31 0.00 0.01 0.01 77 A H H 51.26 4.32 18.81 23.62 92.07 49.85 -64.44 -42.23 0.91 0.00 99.09 0.18 0.08 0.56 98.95 0.22 0.00 0.00 0.00 78 G H H 27.33 7.19 16.87 25.34 92.08 50.93 -64.19 -41.43 0.90 0.00 99.09 0.14 0.06 0.61 98.98 0.20 0.00 0.00 0.00 79 A H H 55.16 4.18 18.35 23.00 91.95 50.82 -65.31 -40.62 0.63 0.00 99.37 0.10 0.04 0.40 99.27 0.18 0.00 0.00 0.00 80 T H H 75.94 2.97 19.44 21.92 92.28 49.74 -65.28 -41.74 0.83 0.01 99.16 0.15 0.06 0.56 99.07 0.17 0.00 0.00 0.00 81 V H H 71.54 5.50 17.97 23.85 92.16 48.92 -64.93 -42.52 0.79 0.02 99.20 0.15 0.06 0.51 99.15 0.11 0.00 0.01 0.00 82 L H H 82.83 5.39 17.95 24.00 92.07 49.51 -64.33 -41.88 0.53 0.01 99.47 0.10 0.04 0.32 99.47 0.07 0.00 0.00 0.00 83 G H H 37.17 2.98 18.49 21.36 91.81 50.09 -64.35 -41.84 0.58 0.00 99.42 0.10 0.04 0.35 99.43 0.07 0.00 0.00 0.00 84 G H H 35.77 3.57 18.03 21.78 92.21 49.96 -64.82 -41.81 0.63 0.00 99.37 0.13 0.04 0.37 99.39 0.07 0.00 0.00 0.00 85 I H H 79.73 5.80 17.07 23.45 92.05 49.22 -65.06 -41.66 0.37 0.00 99.63 0.07 0.02 0.21 99.66 0.04 0.00 0.00 0.00 86 A H H 55.57 3.95 17.44 21.87 91.85 50.57 -63.84 -41.74 0.30 0.00 99.70 0.05 0.02 0.17 99.73 0.03 0.00 0.00 0.00 87 L H H 95.74 2.06 18.64 19.79 92.11 49.89 -64.88 -41.36 0.32 0.00 99.68 0.04 0.02 0.19 99.71 0.03 0.00 0.00 0.00 88 A H H 51.60 4.31 16.77 21.75 92.05 50.64 -64.82 -41.64 0.39 0.00 99.61 0.06 0.02 0.24 99.64 0.04 0.00 0.00 0.00 89 I H H 81.58 5.35 16.28 22.33 92.04 49.68 -64.77 -41.96 0.38 0.00 99.62 0.06 0.02 0.24 99.64 0.04 0.00 0.00 0.00 90 T H H 73.48 2.66 17.13 19.70 91.76 50.17 -64.22 -41.94 0.39 0.00 99.60 0.06 0.02 0.24 99.59 0.08 0.00 0.00 0.00 91 A H H 56.51 2.36 16.64 18.86 91.91 50.10 -64.19 -41.68 0.73 0.00 99.26 0.08 0.04 0.51 99.15 0.21 0.00 0.00 0.00 92 V H H 71.57 4.20 14.82 19.90 92.29 49.20 -65.89 -40.68 1.44 0.01 98.55 0.16 0.10 1.05 98.16 0.51 0.00 0.00 0.00 93 S H H 53.79 4.85 12.81 19.22 92.31 52.94 -65.74 -36.25 6.21 0.02 93.77 0.50 0.38 5.00 92.94 1.16 0.01 0.01 0.01 94 K H H 142.34 1.71 14.10 15.75 93.67 51.88 -72.77 -26.35 24.23 0.06 75.71 1.46 1.50 20.76 74.21 1.98 0.03 0.02 0.04 95 F H H 142.45 2.24 12.30 15.10 97.44 51.25 -87.04 -11.06 36.54 0.49 62.97 6.27 7.42 24.03 59.27 2.40 0.12 0.19 0.30 96 D C C 81.66 5.53 8.93 16.16 108.29 83.73 -85.74 102.14 67.10 2.93 29.97 41.75 13.12 11.95 26.98 3.50 0.02 1.42 1.24 97 K C C 147.67 2.02 9.51 12.96 108.45 117.55 -82.70 100.62 69.72 6.09 24.18 41.34 12.59 15.51 18.66 6.04 0.04 4.00 1.83 98 T C C 98.62 2.67 7.33 11.88 110.83 91.21 -88.31 123.27 66.29 12.92 20.79 39.15 12.68 14.72 14.72 6.28 0.13 9.19 3.14 99 I C C 134.16 1.75 7.64 11.02 112.78 -160.76 -94.56 123.20 78.66 9.82 11.52 68.74 2.26 7.63 8.26 2.78 0.00 7.52 2.81 100 R C C 169.80 2.48 9.13 13.52 111.62 -145.66 -89.23 122.37 99.76 0.21 0.03 99.68 0.10 0.05 0.02 0.00 0.00 0.13 0.02