# 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 145.31 4.27 13.33 18.94 110.47 -130.52 -80.42 122.27 99.79 0.04 0.17 99.66 0.10 0.10 0.12 0.01 0.00 0.01 0.01 1 K C C 124.91 4.44 10.83 16.89 106.06 -123.68 -76.24 105.26 65.17 0.54 34.29 58.73 1.13 4.89 33.29 1.48 0.00 0.22 0.26 2 T H H 80.39 3.68 11.39 16.41 105.57 -123.91 -77.90 -36.59 48.03 0.49 51.48 35.89 5.14 6.31 50.22 2.02 0.00 0.19 0.23 3 R H H 141.98 4.07 12.93 18.25 94.89 -66.41 -66.72 -37.54 19.37 0.20 80.42 11.90 3.43 4.89 77.50 2.11 0.00 0.08 0.08 4 K H H 106.74 6.60 14.41 22.10 93.58 52.94 -65.86 -40.33 8.64 0.10 91.26 4.48 1.49 2.97 89.27 1.70 0.00 0.04 0.04 5 E H H 97.42 5.25 16.17 22.27 92.77 50.59 -66.28 -39.92 6.01 0.06 93.94 2.74 0.86 2.38 92.69 1.27 0.00 0.02 0.02 6 S H H 51.27 4.43 17.58 22.78 92.65 51.20 -65.78 -40.63 5.62 0.04 94.33 2.26 0.70 2.50 93.52 0.98 0.00 0.02 0.02 7 Y H H 79.64 9.39 18.11 28.29 92.21 50.24 -65.46 -41.01 2.65 0.01 97.33 0.86 0.29 1.30 97.04 0.50 0.00 0.00 0.00 8 A H H 24.98 12.13 16.92 30.19 91.87 51.86 -63.71 -41.40 1.35 0.01 98.64 0.37 0.11 0.69 98.59 0.23 0.00 0.00 0.00 9 I H H 74.80 5.65 20.62 26.70 91.80 50.34 -64.05 -42.26 0.56 0.00 99.44 0.08 0.03 0.35 99.43 0.09 0.00 0.00 0.00 10 Y H H 101.00 5.58 21.32 27.18 91.86 50.08 -64.10 -42.70 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 11 V H H 30.04 14.27 18.57 33.25 91.91 49.43 -63.90 -42.79 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 12 Y H H 67.49 12.96 18.57 31.77 92.00 50.31 -64.14 -41.81 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 13 K H H 106.68 3.42 22.25 25.13 91.89 50.42 -64.68 -41.58 0.14 0.00 99.86 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 14 V H H 47.53 7.15 19.35 27.68 91.81 49.05 -64.37 -42.36 0.26 0.00 99.74 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 15 L H H 20.65 15.80 14.33 31.00 91.92 50.36 -64.09 -40.44 0.37 0.00 99.63 0.03 0.02 0.27 99.56 0.12 0.00 0.00 0.00 16 K H H 101.33 7.86 15.85 24.71 91.89 53.09 -64.70 -37.24 1.62 0.00 98.38 0.07 0.06 1.42 98.04 0.40 0.00 0.00 0.00 17 Q H H 128.07 1.55 17.72 18.41 93.16 49.98 -68.95 -36.68 4.40 0.00 95.59 0.12 0.18 4.05 95.26 0.38 0.00 0.00 0.00 18 V H H 76.45 6.22 14.80 22.04 98.61 37.88 -84.98 -33.96 8.38 0.02 91.59 0.34 1.04 6.81 91.55 0.22 0.02 0.00 0.02 19 H C C 63.53 10.00 10.28 21.64 111.55 24.19 -132.63 68.34 98.94 0.24 0.82 59.74 37.95 1.13 0.74 0.13 0.00 0.05 0.26 20 P C T 90.74 4.80 11.18 18.37 94.66 170.53 -63.12 -26.94 86.61 0.25 13.14 15.43 6.74 64.08 2.54 10.91 0.00 0.13 0.17 21 D C T 130.22 0.63 14.52 13.55 95.22 53.78 -83.54 0.10 83.39 0.22 16.39 6.79 9.66 66.39 3.90 12.96 0.00 0.11 0.18 22 T C S 59.30 9.07 10.95 21.15 99.63 83.29 -91.44 -2.55 83.48 0.62 15.90 27.71 34.42 21.87 5.29 9.86 0.00 0.22 0.63 23 G C C 43.28 3.83 16.87 21.45 102.63 -121.23 78.01 5.66 87.29 1.02 11.69 41.71 29.88 15.95 8.56 2.82 0.00 0.35 0.74 24 I C C 56.66 13.21 12.59 26.09 100.08 118.14 -87.27 18.22 64.27 1.39 34.33 46.69 10.23 6.39 33.15 2.23 0.00 0.46 0.85 25 S H H 51.83 8.08 15.35 24.49 95.37 101.14 -67.15 -44.73 27.37 0.33 72.31 19.04 4.08 4.59 70.48 1.54 0.00 0.12 0.15 26 S H H 79.21 1.93 18.12 19.54 93.17 44.19 -66.62 -39.08 4.93 0.04 95.04 1.69 0.86 2.31 93.95 1.16 0.00 0.02 0.01 27 K H H 122.29 2.70 18.91 21.55 92.21 49.35 -66.66 -40.61 2.39 0.02 97.59 0.75 0.31 1.23 96.84 0.85 0.00 0.01 0.00 28 A H H 16.55 14.57 14.01 29.57 92.33 50.72 -64.97 -42.32 1.36 0.01 98.63 0.42 0.14 0.67 98.28 0.49 0.00 0.00 0.00 29 M H H 71.44 9.68 17.26 27.76 91.91 51.59 -63.50 -41.07 0.59 0.00 99.40 0.18 0.05 0.27 99.32 0.18 0.00 0.00 0.00 30 S H H 63.75 2.11 20.76 21.61 91.91 50.69 -64.58 -41.38 0.58 0.00 99.42 0.12 0.04 0.32 99.37 0.15 0.00 0.00 0.00 31 I H H 76.29 5.71 19.60 25.95 92.06 48.79 -65.18 -42.10 0.47 0.00 99.53 0.08 0.03 0.28 99.50 0.11 0.00 0.00 0.00 32 M H H 42.82 14.61 16.23 31.14 92.03 50.19 -64.39 -41.92 0.47 0.00 99.53 0.08 0.03 0.26 99.52 0.10 0.00 0.00 0.00 33 N H H 77.15 6.18 19.10 26.04 91.78 51.09 -63.75 -40.29 0.79 0.00 99.21 0.12 0.04 0.49 99.20 0.14 0.00 0.00 0.00 34 S H H 61.25 2.30 20.63 21.84 91.91 50.56 -64.90 -41.27 1.24 0.00 98.76 0.13 0.07 0.87 98.74 0.19 0.00 0.00 0.00 35 F H H 76.11 8.57 18.60 28.06 92.11 49.42 -65.01 -41.93 1.23 0.00 98.77 0.17 0.08 0.81 98.72 0.21 0.00 0.00 0.00 36 V H H 37.44 13.22 16.66 30.49 92.03 50.18 -64.20 -42.09 0.79 0.00 99.21 0.16 0.06 0.44 99.22 0.12 0.00 0.00 0.00 37 N H H 82.88 3.69 19.98 23.82 91.57 50.69 -64.02 -40.77 0.87 0.00 99.13 0.16 0.06 0.51 99.15 0.12 0.00 0.00 0.00 38 D H H 76.19 2.85 20.52 22.76 92.09 50.10 -65.25 -41.07 1.00 0.00 98.99 0.16 0.06 0.64 99.01 0.13 0.00 0.00 0.00 39 V H H 36.94 11.57 17.53 30.08 92.01 50.00 -64.52 -42.88 0.58 0.00 99.42 0.08 0.04 0.36 99.41 0.10 0.00 0.00 0.00 40 F H H 72.67 11.60 17.41 29.47 91.85 50.38 -63.67 -41.52 0.36 0.00 99.64 0.05 0.02 0.21 99.62 0.10 0.00 0.00 0.00 41 E H H 117.12 2.35 20.80 22.57 91.80 50.25 -64.67 -40.97 0.48 0.00 99.52 0.06 0.02 0.31 99.45 0.15 0.00 0.00 0.00 42 R H H 122.89 4.06 20.33 24.53 92.01 49.07 -65.51 -41.35 1.10 0.00 98.89 0.11 0.07 0.79 98.79 0.24 0.00 0.00 0.00 43 I H H 35.80 14.61 16.81 31.81 92.34 47.59 -65.87 -41.67 2.44 0.01 97.55 0.35 0.22 1.63 97.49 0.30 0.00 0.01 0.00 44 A H H 44.35 7.85 18.49 27.37 91.78 51.08 -63.63 -40.98 5.46 0.03 94.51 0.98 0.52 3.49 94.42 0.55 0.01 0.01 0.01 45 G H H 37.32 2.54 21.23 22.87 92.11 50.34 -64.40 -42.39 11.60 0.06 88.34 2.11 1.20 7.76 87.85 1.02 0.01 0.02 0.03 46 E H H 78.41 7.29 20.10 28.05 92.32 48.78 -66.03 -40.59 6.64 0.05 93.32 1.85 0.91 3.66 92.17 1.35 0.01 0.02 0.02 47 A H H 23.31 14.51 15.59 30.69 91.98 52.24 -63.72 -40.59 4.25 0.04 95.72 1.40 0.50 2.14 93.89 2.03 0.00 0.02 0.01 48 S H H 58.84 4.09 20.02 24.37 91.89 51.65 -64.53 -39.91 4.91 0.05 95.04 1.27 0.53 2.92 92.07 3.16 0.01 0.03 0.01 49 R H H 132.80 2.46 20.43 22.19 92.36 50.27 -65.78 -39.97 6.19 0.09 93.73 1.30 0.73 4.08 90.13 3.66 0.02 0.05 0.03 50 L H H 45.05 10.02 15.34 26.89 92.73 50.14 -66.78 -38.80 8.04 0.17 91.79 1.99 1.06 4.96 87.10 4.70 0.03 0.11 0.05 51 A H H 39.40 9.03 13.44 23.99 92.94 55.25 -66.01 -35.19 18.50 0.36 81.14 3.95 1.98 12.42 75.32 5.93 0.06 0.22 0.13 52 H H H 131.75 2.14 15.38 17.65 95.11 53.08 -73.20 -25.32 32.46 0.56 66.98 5.92 3.59 23.00 60.92 5.92 0.09 0.31 0.26 53 Y H H 144.86 3.33 12.86 17.27 99.65 52.19 -81.32 -24.91 45.81 1.13 53.06 11.53 9.99 25.83 46.45 4.93 0.16 0.50 0.62 54 N C T 86.97 5.90 10.67 18.02 106.24 44.47 -97.63 63.50 67.42 1.00 31.58 21.90 13.07 32.50 27.30 4.20 0.03 0.41 0.58 55 K C T 159.84 2.10 11.97 15.47 97.97 -136.68 -42.24 10.81 77.98 0.77 21.26 21.86 19.01 37.69 14.16 6.42 0.01 0.31 0.54 56 R C C 152.26 3.48 11.76 16.73 109.06 91.19 -93.26 108.00 80.59 1.30 18.11 33.40 20.15 27.74 9.25 8.05 0.01 0.56 0.84 57 S C C 70.52 5.98 11.71 19.17 107.67 -156.17 -88.80 69.85 85.71 2.69 11.59 44.41 24.30 17.64 4.21 6.88 0.00 1.46 1.09 58 T C C 89.54 4.63 15.55 21.44 116.10 105.97 -103.11 131.46 83.13 9.68 7.19 55.65 17.44 10.28 3.17 4.08 0.01 6.82 2.55 59 I C C 37.06 17.56 10.17 27.22 119.32 -148.68 -101.33 131.67 87.09 11.60 1.32 74.00 12.21 0.71 1.12 0.40 0.00 6.78 4.78 60 T C C 64.79 3.59 21.01 24.18 123.18 -139.79 -87.59 162.72 93.96 5.07 0.96 93.06 1.28 0.26 0.81 0.13 0.00 3.20 1.26 61 S H H 56.11 11.81 13.25 25.52 91.61 -105.28 -59.05 -38.99 2.42 0.01 97.57 0.61 0.40 1.19 97.39 0.40 0.00 0.00 0.00 62 R H H 155.46 2.03 18.84 20.78 91.66 53.61 -63.81 -39.92 0.85 0.00 99.15 0.13 0.08 0.52 98.96 0.31 0.00 0.00 0.00 63 E H H 79.08 8.38 18.79 27.86 91.83 49.38 -65.96 -40.79 0.34 0.00 99.66 0.07 0.03 0.18 99.40 0.32 0.00 0.00 0.00 64 I H H 14.47 20.87 15.64 36.47 91.92 50.14 -64.01 -43.09 0.15 0.00 99.85 0.03 0.01 0.07 99.80 0.09 0.00 0.00 0.00 65 Q H H 67.86 11.61 20.54 32.14 91.29 50.82 -62.62 -41.68 0.20 0.00 99.80 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 66 T H H 62.66 3.90 23.68 27.27 91.75 49.58 -64.56 -41.87 0.39 0.00 99.61 0.03 0.02 0.28 99.56 0.10 0.00 0.00 0.00 67 A H H 15.89 14.64 19.83 35.18 91.77 50.83 -63.97 -42.05 0.60 0.00 99.40 0.05 0.03 0.44 99.16 0.32 0.00 0.00 0.00 68 V H H 12.90 21.28 18.05 39.00 91.73 50.11 -64.23 -41.22 0.90 0.00 99.09 0.07 0.05 0.70 98.02 1.16 0.00 0.00 0.00 69 R H H 115.73 9.16 20.77 30.17 91.23 53.56 -64.29 -34.84 2.92 0.01 97.07 0.17 0.15 2.50 94.72 2.45 0.00 0.00 0.00 70 L H H 89.47 6.33 21.28 27.85 92.21 53.54 -70.16 -30.23 11.70 0.01 88.29 0.33 0.45 11.12 86.17 1.91 0.01 0.00 0.01 71 L H H 46.06 15.38 17.57 32.61 96.64 44.58 -87.48 -23.87 24.37 0.08 75.55 1.29 2.72 20.37 74.24 1.24 0.06 0.02 0.06 72 L C S 32.70 18.04 12.71 30.36 113.99 61.56 -108.52 111.93 97.60 0.36 2.04 23.19 72.22 1.97 2.00 0.22 0.00 0.09 0.30 73 P C C 79.95 5.16 16.56 22.83 112.71 -135.81 -67.84 143.74 84.72 0.44 14.84 53.23 11.77 19.22 11.49 3.77 0.00 0.18 0.34 74 G H H 44.38 3.45 17.00 20.97 116.52 19.22 76.91 -152.75 48.03 0.58 51.39 12.35 15.32 21.63 41.64 8.35 0.08 0.22 0.40 75 E H H 125.64 3.36 17.37 21.23 94.40 -15.37 -66.94 -35.24 18.69 0.34 80.97 6.01 3.71 9.32 68.94 11.63 0.06 0.19 0.14 76 L H H 50.26 12.12 14.77 27.72 92.24 55.05 -64.97 -39.12 10.35 0.36 89.29 4.22 1.65 4.64 76.90 12.22 0.02 0.26 0.08 77 A H H 23.19 14.80 13.92 29.25 92.12 54.42 -64.63 -38.13 7.58 0.30 92.11 3.31 1.12 3.17 79.58 12.50 0.01 0.24 0.06 78 K H H 128.06 3.43 20.18 24.05 92.55 52.50 -66.82 -35.38 12.12 0.50 87.38 3.76 1.83 6.53 75.44 11.90 0.04 0.38 0.12 79 H H H 91.33 6.51 18.69 25.88 96.65 50.49 -75.41 -26.07 20.11 1.14 78.76 6.96 3.39 10.47 68.09 9.86 0.10 0.81 0.32 80 A H H 26.00 15.67 14.31 29.98 97.65 69.98 -67.29 -38.67 27.65 3.74 68.60 16.13 5.39 8.33 60.71 5.92 0.09 2.51 0.92 81 V H H 70.05 10.09 16.94 27.24 96.05 51.93 -72.93 -34.63 32.35 5.81 61.84 19.01 5.77 9.51 54.21 5.86 0.12 4.24 1.28 82 S H H 65.96 4.40 17.37 22.28 98.29 57.84 -75.00 -30.31 42.54 4.12 53.35 21.20 8.20 14.68 45.97 5.99 0.13 2.64 1.19 83 E C T 112.02 6.08 16.35 23.23 98.69 45.67 -74.60 -20.42 62.63 1.00 36.37 11.64 11.41 38.51 31.85 5.54 0.06 0.48 0.50 84 G C T 32.36 10.69 15.31 26.19 99.62 30.36 -8.01 -29.73 72.98 0.77 26.25 18.77 14.05 39.92 21.68 4.82 0.01 0.35 0.38 85 T C C 60.42 10.61 15.25 26.30 98.41 65.65 -76.14 -26.23 57.80 2.80 39.41 40.51 9.44 7.62 35.37 4.61 0.01 1.61 0.84 86 K H H 115.00 5.17 18.82 24.62 96.61 69.41 -68.91 -32.24 42.59 5.83 51.58 30.60 6.72 6.57 45.53 5.17 0.03 4.22 1.17 87 A H H 38.73 10.26 15.79 27.07 94.83 61.41 -68.00 -35.68 30.39 7.16 62.45 22.45 4.70 5.13 54.69 5.92 0.04 6.11 0.96 88 V H H 51.98 12.76 14.73 27.69 95.41 54.94 -71.45 -35.39 23.90 7.79 68.31 17.69 3.72 4.44 59.96 6.11 0.04 7.18 0.87 89 T H H 70.82 6.39 15.83 23.26 95.74 58.55 -72.92 -33.07 25.33 6.38 68.30 18.11 3.88 5.14 60.03 6.23 0.04 5.77 0.80 90 K H H 124.57 3.86 15.61 20.36 96.25 56.60 -73.28 -27.16 30.23 4.76 65.02 19.06 5.22 7.83 57.21 5.98 0.06 3.81 0.82 91 Y H H 111.00 9.02 11.26 21.10 100.33 58.54 -84.36 -14.66 37.22 3.45 59.33 21.71 6.84 10.52 53.06 4.69 0.06 2.26 0.87 92 T H H 83.72 5.70 10.85 18.01 105.41 68.15 -89.76 16.78 48.61 2.74 48.65 27.42 8.22 13.60 45.18 3.14 0.04 1.52 0.87 93 S C C 83.43 2.65 10.25 14.40 104.81 80.98 -85.19 33.61 71.58 1.26 27.16 50.10 2.71 17.05 27.02 1.91 0.00 0.63 0.57 94 A C C 80.08 3.61 11.59 16.76 105.46 75.51 -85.34 33.87 99.88 0.04 0.08 99.68 0.11 0.14 0.05 0.00 0.00 0.02 0.01