# 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 G C C 33.20 8.23 16.21 25.23 121.82 -124.73 -73.12 164.79 99.94 0.03 0.03 99.80 0.11 0.05 0.02 0.00 0.00 0.01 0.01 1 R C C 131.02 4.75 17.34 22.66 111.87 -73.43 -81.10 150.31 58.14 0.85 41.02 53.41 1.50 2.82 40.83 0.72 0.00 0.23 0.50 2 A H H 40.68 14.28 14.33 28.27 94.32 -92.96 -62.34 -40.25 5.95 0.03 94.02 2.27 0.93 2.51 93.43 0.83 0.00 0.01 0.01 3 R H H 93.34 12.63 16.74 29.28 92.31 52.18 -64.01 -40.37 2.66 0.01 97.32 0.96 0.33 1.22 96.68 0.80 0.00 0.01 0.00 4 D H H 75.22 4.31 20.27 24.84 91.64 51.31 -65.21 -39.89 1.13 0.00 98.86 0.45 0.13 0.48 98.37 0.58 0.00 0.00 0.00 5 A H H 30.53 9.45 19.52 30.20 92.02 51.18 -64.42 -42.27 0.57 0.00 99.43 0.17 0.05 0.26 99.35 0.17 0.00 0.00 0.00 6 I H H 17.27 20.32 18.54 38.55 91.91 49.84 -64.30 -43.07 0.39 0.00 99.61 0.09 0.03 0.21 99.58 0.09 0.00 0.00 0.00 7 L H H 40.45 13.37 20.07 33.84 91.62 50.26 -63.26 -41.90 0.22 0.00 99.78 0.04 0.02 0.12 99.76 0.07 0.00 0.00 0.00 8 D H H 78.81 3.25 24.09 26.63 91.54 50.25 -64.72 -40.73 0.32 0.00 99.68 0.04 0.02 0.20 99.59 0.15 0.00 0.00 0.00 9 A H H 18.40 13.53 19.16 33.66 91.96 50.67 -64.17 -42.07 0.59 0.00 99.40 0.05 0.03 0.44 99.12 0.36 0.00 0.00 0.00 10 L H H 15.05 22.47 15.71 38.00 91.82 51.04 -66.36 -36.05 1.55 0.00 98.45 0.10 0.08 1.26 97.33 1.23 0.00 0.00 0.00 11 E H H 107.29 7.43 19.65 27.73 91.47 57.09 -67.78 -26.67 18.94 0.01 81.06 0.29 0.45 18.67 79.20 1.38 0.00 0.00 0.00 12 N C T 108.76 2.86 20.54 23.17 95.70 48.33 -94.42 -2.52 62.38 0.02 37.60 1.50 2.01 57.29 37.61 1.56 0.00 0.01 0.02 13 L C C 22.18 21.15 8.31 28.12 116.57 112.68 -76.07 141.65 97.49 0.54 1.97 70.38 25.53 1.16 1.89 0.23 0.00 0.09 0.71 14 S C C 56.00 2.78 20.58 22.45 123.85 -139.72 -87.39 167.63 98.24 0.20 1.55 97.15 0.81 0.35 1.41 0.07 0.00 0.04 0.17 15 G H H 44.28 6.82 14.14 22.30 92.55 -94.72 -56.99 -42.31 4.61 0.01 95.38 0.68 0.70 3.03 94.34 1.24 0.00 0.00 0.00 16 D H H 108.81 1.10 18.47 17.87 91.81 50.04 -65.22 -39.08 2.44 0.00 97.56 0.25 0.21 1.78 96.44 1.32 0.00 0.00 0.00 17 E H H 64.76 9.71 16.65 27.42 92.10 50.10 -65.52 -39.78 1.01 0.00 98.99 0.18 0.08 0.63 97.87 1.24 0.00 0.00 0.00 18 L H H 15.34 20.20 13.35 33.62 91.37 51.42 -62.72 -42.24 0.41 0.00 99.58 0.06 0.03 0.25 99.17 0.49 0.00 0.00 0.00 19 K H H 110.75 3.84 21.34 25.40 91.47 50.91 -63.76 -40.97 0.45 0.00 99.55 0.04 0.02 0.32 99.31 0.32 0.00 0.00 0.00 20 K H H 107.30 3.06 22.35 24.82 91.54 50.07 -64.22 -41.47 0.60 0.00 99.40 0.04 0.02 0.46 99.08 0.40 0.00 0.00 0.00 21 F H H 14.11 19.97 16.97 37.26 91.39 49.61 -64.32 -42.53 0.56 0.00 99.44 0.06 0.03 0.37 99.05 0.49 0.00 0.00 0.00 22 K H H 61.59 15.82 19.02 34.14 91.42 52.98 -61.62 -41.84 0.51 0.00 99.49 0.04 0.02 0.37 98.86 0.71 0.00 0.00 0.00 23 M H H 99.33 2.40 23.26 24.29 91.55 50.49 -64.00 -41.54 0.82 0.00 99.18 0.05 0.03 0.66 97.92 1.34 0.00 0.00 0.00 24 K H H 71.21 8.78 20.48 30.00 91.82 50.15 -64.82 -40.58 2.05 0.00 97.95 0.11 0.09 1.70 95.89 2.21 0.00 0.00 0.00 25 L H H 5.90 24.45 13.44 38.03 91.30 52.11 -65.45 -35.42 5.56 0.01 94.43 0.37 0.31 4.47 89.06 5.77 0.01 0.00 0.00 26 L H H 83.39 9.87 17.99 28.40 91.18 57.95 -69.20 -21.87 25.65 0.03 74.32 1.04 1.28 23.07 69.33 5.22 0.02 0.01 0.03 27 T C T 101.40 1.64 20.43 20.89 95.16 51.33 -91.27 -8.93 55.89 0.10 44.01 3.93 4.18 46.48 40.21 5.05 0.02 0.04 0.10 28 V C C 27.57 18.76 9.47 27.65 116.31 101.56 -79.49 136.67 92.38 0.63 6.99 47.05 41.03 4.12 5.89 1.19 0.00 0.17 0.55 29 Q C C 135.85 1.79 21.41 22.61 112.92 -133.75 -90.00 128.23 95.26 1.66 3.07 91.77 2.10 1.89 1.71 0.81 0.00 0.66 1.06 30 L C C 41.53 20.40 8.69 27.28 118.14 -143.38 -88.02 140.03 94.40 2.99 2.61 90.04 3.14 1.02 1.53 0.73 0.00 0.92 2.62 31 R C C 124.66 5.23 14.79 21.42 115.99 -112.75 -74.59 149.66 95.50 1.47 3.02 88.43 4.42 2.49 1.49 1.20 0.00 0.43 1.54 32 E C T 159.46 1.35 13.73 15.80 109.82 -87.02 -62.46 134.47 94.55 0.46 4.99 3.00 7.99 83.85 1.13 3.42 0.00 0.22 0.39 33 G C T 61.18 1.31 14.96 16.08 97.20 19.79 84.57 -2.47 96.12 0.20 3.68 5.03 7.51 83.69 0.71 2.83 0.00 0.11 0.11 34 Y C C 63.34 16.20 9.57 24.95 104.26 105.27 -94.32 34.70 93.31 2.40 4.29 68.93 15.42 7.84 0.99 3.47 0.00 0.82 2.53 35 G C C 41.71 5.71 18.13 24.57 115.72 -160.42 -38.05 -46.29 96.28 1.56 2.16 67.24 17.46 11.27 0.44 1.89 0.00 0.76 0.95 36 R C C 142.30 6.66 18.63 26.29 109.93 -25.72 -86.48 106.61 96.29 2.44 1.27 62.27 28.62 5.25 0.31 1.02 0.00 1.12 1.41 37 I C C 19.46 21.45 11.16 32.01 113.70 -130.21 -96.64 121.33 95.11 4.61 0.28 74.13 20.91 0.35 0.17 0.10 0.00 1.63 2.72 38 P C C 63.72 4.63 21.01 25.91 112.58 -114.10 -66.01 142.06 95.70 3.56 0.74 95.16 0.78 0.37 0.44 0.13 0.00 1.60 1.52 39 R H H 118.47 13.12 12.78 25.70 93.48 -122.99 -59.20 -36.30 20.43 0.26 79.31 5.19 3.57 11.07 56.39 23.46 0.06 0.12 0.15 40 G H H 46.53 2.39 18.18 20.39 92.24 56.10 -62.77 -33.98 13.06 0.09 86.85 1.49 1.31 8.59 56.96 31.54 0.02 0.05 0.04 41 A H H 49.69 6.88 17.53 25.48 92.43 54.08 -70.36 -29.48 8.15 0.04 91.80 1.14 0.76 5.10 60.50 32.46 0.01 0.02 0.01 42 L H H 7.03 24.32 10.39 34.08 92.68 55.99 -73.09 -27.44 11.45 0.07 88.48 2.24 1.36 6.53 56.96 32.83 0.01 0.04 0.03 43 L H T 91.53 9.32 16.32 26.40 91.47 69.19 -65.63 -24.36 48.94 0.10 50.96 2.29 2.59 42.79 32.21 19.96 0.02 0.04 0.11 44 Q C T 147.42 0.90 19.49 18.23 94.75 52.52 -89.85 -2.46 66.75 0.07 33.18 2.91 3.61 60.49 15.56 17.31 0.00 0.03 0.08 45 M C S 39.08 16.83 9.11 25.55 122.23 103.57 -81.28 152.59 99.11 0.25 0.64 37.13 61.28 0.69 0.46 0.12 0.00 0.05 0.29 46 D C C 82.99 2.84 22.71 24.44 118.42 -110.04 -76.73 158.17 98.64 1.05 0.31 98.08 0.57 0.07 0.26 0.02 0.00 0.16 0.85 47 A H H 31.80 18.99 14.26 32.51 91.72 -104.38 -58.42 -39.07 1.43 0.00 98.57 0.14 0.14 0.99 98.42 0.30 0.00 0.00 0.00 48 I H H 75.28 9.44 20.42 30.20 91.86 52.44 -64.19 -40.98 0.76 0.00 99.23 0.05 0.04 0.58 99.01 0.31 0.00 0.00 0.00 49 D H H 70.02 4.65 23.44 28.06 91.68 49.03 -65.55 -40.44 0.44 0.00 99.56 0.06 0.02 0.28 99.25 0.39 0.00 0.00 0.00 50 L H H 8.34 20.84 18.51 39.65 91.55 50.35 -63.56 -43.68 0.20 0.00 99.80 0.04 0.01 0.10 99.77 0.07 0.00 0.00 0.00 51 T H H 10.84 20.95 19.91 40.58 91.49 50.84 -62.45 -43.25 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 52 D H H 76.49 5.25 25.36 30.79 91.61 49.74 -64.79 -41.39 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 53 K H H 60.83 10.20 23.52 34.10 91.83 49.65 -65.13 -41.97 0.16 0.00 99.84 0.01 0.00 0.13 99.80 0.06 0.00 0.00 0.00 54 L H H 3.86 24.97 17.96 43.18 91.52 50.21 -63.74 -42.70 0.49 0.00 99.51 0.02 0.02 0.39 99.37 0.20 0.00 0.00 0.00 55 V H H 31.57 16.51 18.98 35.20 91.98 48.95 -65.54 -38.79 2.23 0.00 97.77 0.14 0.14 1.78 96.63 1.30 0.00 0.00 0.00 56 S H H 71.89 2.92 22.97 25.54 92.73 51.44 -68.71 -35.83 9.14 0.01 90.85 0.30 0.41 8.55 88.34 2.37 0.01 0.00 0.01 57 Y H H 76.14 12.22 19.01 31.37 99.57 39.14 -86.10 -34.24 16.94 0.02 83.04 0.46 1.14 15.69 80.86 1.79 0.04 0.01 0.02 58 Y H H 36.01 19.26 14.45 33.00 103.50 32.73 -104.47 -6.17 46.49 0.80 52.71 9.91 18.18 19.66 49.35 1.85 0.12 0.18 0.75 59 L C C 77.84 7.59 19.52 27.57 112.58 -119.68 39.97 139.68 88.55 0.85 10.59 66.55 9.91 11.41 8.75 2.31 0.00 0.30 0.78 60 E C T 106.05 9.43 15.78 25.61 96.76 -83.44 -50.61 -45.18 51.80 0.41 47.79 3.73 11.12 36.84 26.41 21.11 0.12 0.18 0.51 61 S H T 83.45 2.75 19.95 22.86 94.97 37.26 -71.61 -24.88 48.88 0.10 51.03 1.38 4.60 42.83 29.87 21.11 0.03 0.04 0.14 62 Y H H 72.44 12.51 17.88 30.73 99.22 40.99 -99.21 -7.97 42.75 0.14 57.12 3.26 3.31 34.91 41.06 17.22 0.03 0.05 0.15 63 G H H 3.39 22.20 16.04 38.64 92.24 87.53 -60.72 -43.03 7.69 0.02 92.28 2.43 1.04 4.06 91.36 1.09 0.00 0.01 0.01 64 L H H 33.58 17.44 22.42 38.96 91.81 51.21 -63.88 -41.23 2.47 0.00 97.52 0.43 0.24 1.68 97.02 0.62 0.00 0.00 0.00 65 E H H 96.74 5.32 27.85 33.81 91.72 50.36 -64.59 -41.62 0.54 0.00 99.46 0.10 0.04 0.35 99.18 0.33 0.00 0.00 0.00 66 L H H 15.48 18.18 23.91 41.81 91.46 49.20 -64.55 -42.97 0.21 0.00 99.79 0.03 0.01 0.13 99.70 0.12 0.00 0.00 0.00 67 T H H 1.96 26.10 22.81 48.68 91.41 49.86 -63.91 -43.40 0.15 0.00 99.85 0.01 0.00 0.09 99.84 0.04 0.00 0.00 0.00 68 M H H 35.70 15.70 24.35 39.62 91.52 50.49 -63.59 -42.64 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 69 T H H 52.69 6.26 27.11 34.18 91.62 49.85 -64.24 -42.35 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 70 V H H 6.94 19.84 21.30 41.46 91.68 49.72 -63.57 -44.02 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 71 L H H 5.99 22.42 17.54 40.24 91.16 49.50 -63.54 -42.38 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 72 R H H 125.11 6.26 20.18 27.35 91.72 50.75 -63.44 -41.21 0.39 0.00 99.61 0.02 0.01 0.30 99.56 0.11 0.00 0.00 0.00 73 D H H 85.88 5.99 19.16 26.13 90.35 53.64 -65.43 -28.31 4.51 0.00 95.49 0.05 0.07 4.61 95.12 0.15 0.00 0.00 0.00 74 M C T 42.34 15.32 14.01 30.06 93.41 50.79 -90.62 4.05 85.32 0.00 14.68 0.12 0.57 84.21 14.85 0.23 0.00 0.00 0.00 75 G C T 56.79 1.73 20.96 21.90 93.42 -108.49 76.35 18.98 99.89 0.00 0.11 0.31 0.64 98.98 0.05 0.01 0.00 0.00 0.00 76 L C C 30.43 15.95 11.63 28.30 103.08 125.04 -108.53 48.23 99.58 0.19 0.23 99.28 0.31 0.11 0.13 0.02 0.00 0.04 0.12 77 Q H H 95.92 7.98 15.49 25.21 94.19 142.95 -62.89 -40.00 3.26 0.00 96.73 2.14 0.30 0.80 96.33 0.43 0.00 0.00 0.00 78 E H H 133.29 1.30 22.63 21.87 91.79 52.29 -63.73 -40.98 0.74 0.00 99.26 0.10 0.05 0.46 98.90 0.49 0.00 0.00 0.00 79 L H H 35.92 12.31 18.86 32.05 91.82 49.16 -65.56 -41.13 0.27 0.00 99.73 0.03 0.01 0.16 99.36 0.43 0.00 0.00 0.00 80 A H H 5.39 20.85 14.00 35.42 91.35 51.99 -62.36 -42.93 0.13 0.00 99.87 0.02 0.00 0.07 99.74 0.17 0.00 0.00 0.00 81 E H H 103.58 2.93 23.36 25.54 91.40 50.67 -63.72 -41.07 0.18 0.00 99.82 0.02 0.01 0.11 99.76 0.10 0.00 0.00 0.00 82 Q H H 90.54 3.55 21.98 25.20 91.55 50.12 -64.51 -41.58 0.42 0.00 99.58 0.03 0.02 0.29 99.54 0.12 0.00 0.00 0.00 83 L H H 10.44 19.86 14.35 34.68 92.06 50.45 -64.52 -41.21 1.14 0.00 98.86 0.14 0.07 0.76 98.77 0.26 0.00 0.00 0.00 84 Q H H 71.75 10.09 16.97 27.80 91.86 52.45 -63.77 -39.37 3.81 0.01 96.18 0.74 0.34 2.32 96.00 0.60 0.00 0.00 0.00 85 T H H 90.97 1.54 18.05 18.36 92.67 51.73 -67.04 -36.78 11.38 0.03 88.58 1.98 1.08 7.59 88.16 1.16 0.01 0.01 0.02 86 T H H 65.99 7.43 13.11 21.93 94.24 53.20 -72.27 -28.20 23.92 0.09 75.99 5.17 2.71 15.02 75.72 1.28 0.01 0.03 0.06 87 K C H 94.90 10.64 10.33 21.30 98.02 57.31 -80.81 -14.20 51.45 0.32 48.23 25.09 2.04 22.41 48.88 1.27 0.00 0.11 0.21 88 E C C 140.31 2.71 14.68 18.57 102.73 97.27 -77.65 25.25 99.91 0.02 0.07 99.73 0.09 0.11 0.05 0.00 0.00 0.01 0.00