# 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 92.65 8.38 12.38 21.86 115.74 -164.54 -96.57 130.45 99.87 0.08 0.04 99.78 0.09 0.06 0.02 0.00 0.00 0.04 0.01 1 G C C 37.21 5.11 11.91 18.37 116.06 -161.14 -86.12 167.83 81.84 1.37 16.79 76.36 1.20 4.13 16.01 1.05 0.00 0.56 0.69 2 L H H 113.21 2.73 11.00 14.85 96.42 -68.75 -67.80 -35.48 34.07 0.85 65.08 20.54 6.42 9.16 58.37 4.72 0.02 0.41 0.36 3 E H H 115.44 2.91 12.29 16.28 94.51 54.12 -68.20 -36.06 24.07 0.55 75.38 13.49 4.42 7.66 68.10 5.81 0.02 0.30 0.21 4 D H H 67.01 6.01 11.68 19.41 94.69 55.28 -68.45 -36.08 16.65 0.39 82.96 10.46 2.81 4.61 75.57 6.18 0.01 0.22 0.13 5 E H H 97.70 4.34 13.62 19.27 93.90 55.98 -66.83 -37.72 10.33 0.30 89.37 5.88 1.80 3.49 84.08 4.47 0.01 0.19 0.09 6 Q H H 93.75 3.64 14.37 18.95 93.70 53.56 -67.07 -38.58 9.88 0.51 89.61 5.34 1.71 3.70 84.45 4.31 0.02 0.35 0.13 7 R H H 107.49 6.21 13.04 20.67 94.36 52.28 -67.82 -37.99 11.03 0.80 88.17 6.13 1.83 4.09 83.16 4.03 0.03 0.53 0.21 8 M H H 98.47 6.10 12.59 19.97 95.27 52.26 -71.60 -34.14 14.68 0.82 84.50 6.77 2.43 6.53 79.58 3.88 0.06 0.51 0.25 9 L H H 111.26 3.26 13.91 17.91 98.18 47.00 -78.24 -31.26 25.01 0.70 74.29 6.73 4.48 14.88 70.01 3.14 0.11 0.34 0.31 10 T H H 86.19 3.44 13.56 17.75 101.72 38.66 -96.20 -6.83 47.62 0.68 51.70 9.23 11.46 27.42 48.98 2.18 0.10 0.24 0.40 11 G C C 42.14 5.98 11.75 19.24 107.76 -124.48 79.62 27.66 95.87 0.85 3.27 44.71 29.38 22.15 1.49 1.41 0.00 0.37 0.49 12 S C C 75.17 4.16 12.52 18.10 111.30 92.36 -92.21 125.71 97.05 0.83 2.12 60.48 23.57 13.05 0.67 1.34 0.00 0.39 0.51 13 G C C 43.07 4.76 12.42 18.72 118.45 43.83 90.91 -171.64 97.37 0.60 2.03 52.70 37.49 7.23 1.02 0.91 0.00 0.23 0.41 14 D C C 87.87 3.94 13.00 18.30 111.92 -46.85 -86.02 126.26 96.06 0.28 3.66 81.25 12.86 1.69 3.29 0.57 0.00 0.09 0.25 15 P H H 80.25 6.09 10.60 18.37 96.21 -138.67 -63.46 -29.42 46.33 0.28 53.38 32.91 4.54 8.75 48.36 5.16 0.00 0.13 0.15 16 K H H 134.87 2.25 12.74 15.72 95.95 59.48 -68.61 -33.94 25.74 0.28 73.98 15.43 3.98 7.23 67.11 5.99 0.01 0.14 0.12 17 E H H 105.87 3.28 12.14 16.55 95.69 54.47 -69.11 -36.81 14.64 0.24 85.12 9.90 2.30 3.51 77.59 6.48 0.00 0.14 0.07 18 E H H 94.03 4.93 11.20 17.71 95.16 53.99 -68.03 -37.48 10.98 0.20 88.83 7.51 1.74 2.78 82.80 5.00 0.00 0.12 0.05 19 E H H 107.53 3.16 12.17 16.43 94.82 54.23 -67.80 -37.53 10.39 0.18 89.42 6.67 1.68 2.99 84.28 4.22 0.00 0.10 0.05 20 E H H 112.84 2.52 12.27 15.49 94.91 53.59 -67.88 -37.37 11.28 0.17 88.55 6.62 1.86 3.63 83.59 4.14 0.00 0.09 0.06 21 E H H 109.55 3.56 11.33 16.24 95.42 53.21 -69.31 -35.34 13.83 0.19 85.98 7.71 2.21 4.67 80.52 4.71 0.01 0.10 0.07 22 E H H 115.27 3.86 11.12 16.42 96.14 54.83 -71.31 -31.08 18.68 0.24 81.08 9.99 2.87 6.56 74.40 5.95 0.01 0.12 0.10 23 E H H 127.28 2.83 11.27 15.38 97.42 59.73 -76.03 -22.80 27.39 0.38 72.23 13.79 4.70 9.91 64.25 6.97 0.02 0.18 0.18 24 E H H 129.64 2.79 11.51 15.52 103.13 66.75 -81.79 16.66 45.54 0.61 53.84 24.10 7.38 14.97 46.42 6.51 0.02 0.27 0.35 25 L C C 102.57 5.57 10.56 17.66 107.92 82.42 -83.18 110.35 68.38 0.90 30.72 44.24 8.13 15.66 25.94 5.09 0.00 0.37 0.56 26 V C C 80.34 6.63 11.70 20.06 116.83 -153.78 -99.67 131.85 84.68 1.38 13.94 59.43 18.85 5.05 13.74 1.40 0.00 0.40 1.13 27 D C C 74.35 6.42 14.16 22.15 107.87 -118.77 -84.27 113.45 95.34 0.24 4.42 88.74 4.75 1.17 4.84 0.27 0.00 0.08 0.15 28 P H H 61.24 9.08 14.52 25.28 93.74 -158.44 -64.71 -31.73 33.20 0.16 66.64 21.87 2.71 6.54 67.76 1.00 0.00 0.05 0.07 29 L H H 61.75 11.78 15.09 27.31 92.76 56.36 -65.81 -39.70 7.91 0.05 92.05 3.79 1.01 2.82 91.58 0.75 0.00 0.02 0.02 30 T H H 68.58 3.76 18.46 22.47 92.49 50.06 -65.59 -40.84 2.47 0.02 97.50 1.30 0.33 0.88 96.90 0.57 0.00 0.01 0.01 31 T H H 56.13 4.70 18.47 24.04 92.16 50.32 -65.11 -42.05 1.21 0.01 98.78 0.58 0.16 0.49 98.43 0.34 0.00 0.01 0.00 32 V H H 26.96 14.04 16.04 30.98 92.24 49.40 -64.56 -42.64 0.57 0.01 99.42 0.22 0.06 0.25 99.32 0.15 0.00 0.00 0.00 33 R H H 89.02 11.42 17.62 29.40 91.55 51.67 -62.97 -41.88 0.34 0.00 99.65 0.11 0.03 0.17 99.59 0.09 0.00 0.00 0.00 34 E H H 104.14 2.24 21.58 22.57 91.66 50.20 -64.09 -41.78 0.38 0.00 99.61 0.09 0.03 0.23 99.51 0.14 0.00 0.00 0.00 35 Q H H 80.46 5.51 19.66 25.80 91.97 49.54 -64.95 -40.84 0.64 0.00 99.36 0.08 0.04 0.46 99.06 0.35 0.00 0.00 0.00 36 C H H 13.84 17.89 12.75 31.06 91.77 50.37 -66.27 -36.87 1.74 0.00 98.26 0.10 0.08 1.46 96.74 1.61 0.00 0.00 0.00 37 E H H 99.36 7.50 16.32 24.90 91.14 56.58 -68.91 -23.06 23.54 0.01 76.45 0.31 0.41 24.32 72.97 1.97 0.01 0.00 0.01 38 Q C T 134.25 1.53 17.96 18.62 93.78 57.57 -84.59 -9.79 69.39 0.02 30.58 0.97 1.63 66.96 28.60 1.81 0.00 0.01 0.03 39 I C S 48.31 12.67 8.87 22.39 115.49 95.32 -84.37 135.02 96.35 0.50 3.15 27.99 66.33 1.45 3.27 0.28 0.00 0.08 0.60 40 E H H 149.50 1.17 16.65 17.23 93.09 -133.81 -61.47 -36.26 20.71 0.03 79.25 0.98 2.04 17.32 69.61 9.96 0.05 0.01 0.03 41 K H H 110.89 6.01 16.58 23.67 92.17 54.16 -68.88 -30.15 19.76 0.02 80.22 0.50 0.96 18.63 71.28 8.56 0.04 0.01 0.02 42 C H H 12.81 18.83 11.81 30.67 97.33 46.69 -84.90 -21.82 12.00 0.03 87.97 0.81 0.68 10.19 78.73 9.54 0.02 0.01 0.01 43 I H H 75.93 5.48 18.60 25.22 91.83 66.08 -62.18 -42.01 1.05 0.00 98.94 0.29 0.10 0.48 98.78 0.35 0.00 0.00 0.00 44 K H H 114.05 2.40 22.45 23.74 91.60 50.12 -64.49 -40.94 0.73 0.00 99.26 0.12 0.04 0.45 99.18 0.22 0.00 0.00 0.00 45 A H H 14.13 15.31 16.77 33.14 91.72 50.51 -64.54 -41.66 0.24 0.00 99.76 0.03 0.01 0.14 99.74 0.08 0.00 0.00 0.00 46 R H H 87.13 12.68 19.10 31.57 91.78 52.18 -63.00 -41.81 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 47 E H H 105.15 2.17 23.31 23.88 91.51 50.17 -63.77 -41.94 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 48 R H H 94.97 8.22 20.92 29.63 91.87 49.62 -64.54 -41.70 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 L H H 19.81 18.44 16.19 34.81 91.92 50.37 -64.05 -41.86 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 50 E H H 97.25 3.96 22.78 26.60 91.41 50.98 -63.61 -41.45 0.20 0.00 99.80 0.01 0.01 0.15 99.81 0.03 0.00 0.00 0.00 51 L H H 79.72 3.06 21.98 24.37 91.50 50.00 -64.22 -42.03 0.41 0.00 99.59 0.03 0.02 0.30 99.54 0.11 0.00 0.00 0.00 52 C H H 14.45 15.25 15.80 32.21 91.80 50.26 -64.10 -41.70 0.67 0.00 99.33 0.07 0.03 0.44 99.27 0.18 0.00 0.00 0.00 53 D H H 58.14 10.09 18.06 28.79 91.74 51.72 -63.67 -40.27 1.50 0.00 98.49 0.20 0.10 1.02 98.33 0.35 0.00 0.00 0.00 54 Q H H 114.19 1.50 21.05 20.53 92.15 50.12 -65.81 -39.93 4.53 0.01 95.46 0.45 0.33 3.50 94.81 0.90 0.01 0.00 0.00 55 R H H 100.78 6.35 16.98 24.38 93.34 49.01 -68.50 -37.62 9.53 0.05 90.42 1.38 0.99 6.90 89.46 1.21 0.01 0.02 0.02 56 V H H 36.11 14.17 11.70 26.20 95.33 51.56 -72.61 -31.62 22.89 0.46 76.65 7.49 4.29 11.95 74.07 1.70 0.06 0.17 0.27 57 S H H 73.38 3.24 14.91 18.90 96.64 59.08 -74.86 -23.89 48.61 0.98 50.42 19.84 8.68 20.35 48.04 2.16 0.03 0.36 0.53 58 S C T 73.18 2.98 11.82 15.97 102.71 70.59 -83.61 -4.26 68.07 0.90 31.04 23.47 16.07 28.66 27.52 3.40 0.02 0.33 0.53 59 R C C 156.31 3.65 10.16 15.39 101.10 75.23 -80.72 -0.13 79.59 0.78 19.63 32.64 23.16 24.01 15.02 4.31 0.00 0.28 0.56 60 S C C 73.24 3.66 10.22 15.44 103.76 85.94 -82.82 7.01 83.91 0.67 15.42 40.30 19.66 24.12 9.18 5.97 0.00 0.27 0.50 61 Q C C 132.15 2.69 10.66 14.74 101.53 68.61 -81.82 -2.26 81.56 0.74 17.69 34.27 24.82 22.98 9.66 7.37 0.00 0.28 0.61 62 T C C 87.19 4.12 10.29 16.02 106.61 73.01 -90.43 33.35 80.37 0.95 18.68 36.52 23.39 21.03 10.59 7.39 0.00 0.37 0.72 63 E C C 130.33 3.54 12.66 17.62 104.76 85.36 -84.76 35.90 80.84 1.23 17.93 47.38 21.66 12.01 11.92 5.72 0.00 0.51 0.81 64 E C C 90.89 9.06 12.11 22.16 110.54 125.61 -86.13 127.63 81.38 1.93 16.69 61.86 13.21 5.72 13.98 3.30 0.00 0.83 1.10 65 D C C 74.64 6.21 17.68 24.62 112.86 -148.22 -90.26 130.05 80.26 3.04 16.71 70.90 4.83 3.75 15.71 1.91 0.00 1.25 1.65 66 C C H 34.75 16.14 13.25 29.15 95.83 -115.75 -69.40 -24.78 50.53 1.01 48.46 33.55 7.90 8.28 47.47 1.89 0.01 0.38 0.52 67 T H H 66.63 6.27 18.74 25.84 92.67 71.58 -64.63 -40.73 13.53 0.25 86.22 6.91 2.42 4.48 84.14 1.80 0.01 0.11 0.13 68 E H H 91.48 4.81 20.53 25.67 92.13 51.74 -65.26 -40.37 3.47 0.05 96.48 1.14 0.50 1.80 93.67 2.84 0.01 0.03 0.01 69 E H H 39.14 14.62 17.11 32.09 92.20 50.86 -65.26 -41.05 2.83 0.04 97.13 0.78 0.31 1.66 94.19 3.03 0.00 0.02 0.01 70 L H H 51.58 12.65 18.47 31.39 91.97 51.23 -63.84 -40.96 2.74 0.02 97.23 0.60 0.28 1.75 95.01 2.33 0.00 0.01 0.01 71 F H H 101.20 4.76 21.47 26.36 91.60 50.69 -64.16 -41.79 2.13 0.01 97.86 0.47 0.21 1.33 96.95 1.02 0.00 0.01 0.00 72 D H H 52.97 9.72 19.79 30.14 92.04 51.06 -65.14 -40.61 2.44 0.01 97.55 0.41 0.19 1.69 96.51 1.18 0.00 0.00 0.00 73 F H H 44.04 15.96 17.94 33.80 91.99 51.04 -64.32 -41.24 1.75 0.01 98.24 0.32 0.16 1.18 96.39 1.94 0.00 0.00 0.00 74 L H H 68.32 8.75 20.50 29.72 91.90 51.35 -64.64 -39.62 2.22 0.01 97.77 0.30 0.18 1.62 95.10 2.78 0.00 0.00 0.00 75 H H H 88.86 6.85 20.42 27.75 92.14 51.94 -67.53 -34.30 7.58 0.02 92.39 0.59 0.53 6.22 88.47 4.15 0.02 0.01 0.01 76 A H H 24.41 15.03 15.81 31.27 93.52 56.17 -68.80 -33.03 17.22 0.09 82.70 2.09 1.67 13.30 77.98 4.82 0.04 0.04 0.05 77 R H H 100.96 11.50 18.68 29.78 95.07 52.54 -76.23 -29.84 31.80 0.33 67.87 4.00 5.31 23.16 63.21 3.80 0.16 0.13 0.22 78 D C H 66.24 9.09 17.95 27.50 107.58 49.61 -93.21 79.32 60.59 0.81 38.61 29.30 11.65 19.37 35.61 3.26 0.02 0.27 0.54 79 H H H 101.33 9.47 17.63 27.42 95.02 -151.67 -67.04 -24.89 49.26 0.22 50.52 4.03 5.03 38.70 45.99 5.93 0.06 0.10 0.17 80 C H H 55.07 7.43 19.56 27.42 94.53 55.33 -68.94 -33.70 46.70 0.14 53.16 3.35 3.79 38.24 49.73 4.68 0.04 0.06 0.11 81 V H H 32.48 11.69 18.78 31.45 93.18 52.81 -66.19 -40.94 8.30 0.05 91.65 2.46 0.96 4.72 89.02 2.79 0.01 0.02 0.03 82 A H H 20.98 14.44 16.35 31.66 91.97 54.21 -62.07 -42.21 1.64 0.01 98.35 0.52 0.17 0.82 97.56 0.92 0.00 0.00 0.00 83 H H H 99.20 4.64 20.07 25.10 91.96 50.97 -64.30 -40.85 0.81 0.00 99.18 0.24 0.08 0.44 98.46 0.78 0.00 0.00 0.00 84 K H H 105.37 3.93 19.60 23.53 92.02 49.92 -65.09 -41.41 0.69 0.00 99.30 0.18 0.06 0.39 98.68 0.68 0.00 0.00 0.00 85 L H H 41.36 11.85 15.28 28.28 92.34 49.40 -64.79 -42.15 1.09 0.00 98.90 0.24 0.09 0.68 98.30 0.68 0.00 0.00 0.00 86 F H H 78.97 8.92 14.18 24.35 92.21 50.27 -64.60 -39.78 2.55 0.01 97.44 0.47 0.22 1.73 95.94 1.62 0.00 0.00 0.00 87 N H H 107.95 1.75 15.20 16.82 92.44 52.26 -67.22 -33.06 9.92 0.01 90.06 0.75 0.55 8.45 87.28 2.95 0.01 0.01 0.01 88 S H H 71.00 3.53 12.58 17.31 93.87 54.93 -74.22 -21.44 28.01 0.05 71.94 2.08 1.52 24.11 68.94 3.27 0.02 0.02 0.03 89 L C H 81.42 8.79 8.57 18.20 99.58 60.62 -84.44 -4.70 51.13 0.40 48.47 23.39 2.14 25.82 45.56 2.65 0.01 0.14 0.29 90 K C C 147.15 3.02 13.02 17.63 105.04 112.79 -75.47 94.10 99.92 0.04 0.03 99.79 0.09 0.07 0.02 0.00 0.00 0.02 0.01