# 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 K C C 138.33 3.57 13.15 18.16 113.08 -125.12 -84.10 133.97 99.83 0.04 0.13 99.67 0.12 0.10 0.08 0.01 0.00 0.01 0.01 1 R C C 137.22 5.36 9.85 16.93 111.86 -121.87 -81.19 137.68 74.94 0.71 24.35 68.24 1.31 4.88 23.43 1.47 0.00 0.28 0.39 2 S C C 62.36 3.59 11.17 16.24 112.92 -118.55 -79.69 156.76 62.97 0.70 36.33 49.00 5.76 6.70 35.45 2.43 0.00 0.27 0.38 3 R H H 150.04 4.21 11.71 17.57 94.90 -108.23 -63.81 -35.30 20.93 0.26 78.81 10.31 4.45 7.28 73.90 3.80 0.01 0.12 0.12 4 K H H 119.92 4.61 14.22 20.04 93.22 53.42 -67.01 -38.79 14.82 0.23 84.95 6.57 2.81 6.05 80.40 3.95 0.02 0.11 0.10 5 E H H 96.41 5.03 15.44 21.43 93.84 50.87 -67.87 -38.80 13.28 0.20 86.52 6.37 2.28 5.01 82.69 3.46 0.01 0.10 0.09 6 S H H 48.29 5.69 16.24 23.19 93.77 52.50 -66.20 -40.36 12.71 0.13 87.16 6.34 1.89 4.46 85.40 1.78 0.00 0.06 0.06 7 Y H H 83.57 9.58 17.49 27.75 92.53 50.52 -65.93 -40.35 6.39 0.05 93.56 2.29 0.87 3.03 92.68 1.07 0.00 0.02 0.02 8 S H H 33.55 10.36 17.21 28.68 92.11 52.17 -64.23 -40.58 4.80 0.03 95.16 1.56 0.52 2.54 94.68 0.67 0.00 0.01 0.01 9 V H H 63.56 5.87 19.60 26.12 91.94 50.65 -64.44 -42.04 2.47 0.01 97.52 0.39 0.20 1.85 97.24 0.31 0.00 0.00 0.00 10 Y H H 97.92 6.22 20.56 27.19 91.94 50.23 -64.26 -42.58 0.67 0.00 99.32 0.11 0.06 0.45 99.28 0.11 0.00 0.00 0.00 11 V H H 33.05 13.46 18.24 32.27 91.98 49.80 -64.13 -42.86 0.28 0.00 99.72 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 12 Y H H 73.92 11.80 18.44 30.70 91.99 50.44 -64.01 -41.77 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 13 K H H 104.72 3.70 21.66 24.96 91.88 50.41 -64.68 -41.42 0.17 0.00 99.83 0.01 0.01 0.12 99.83 0.04 0.00 0.00 0.00 14 V H H 47.21 7.37 18.92 27.54 91.87 49.23 -64.48 -42.37 0.27 0.00 99.73 0.02 0.01 0.20 99.73 0.05 0.00 0.00 0.00 15 L H H 23.95 14.89 14.36 30.19 91.93 50.47 -64.24 -40.36 0.41 0.00 99.59 0.03 0.02 0.29 99.53 0.12 0.00 0.00 0.00 16 K H H 103.80 7.29 15.76 24.11 91.94 52.98 -65.01 -37.09 1.82 0.00 98.18 0.09 0.07 1.58 97.82 0.43 0.00 0.00 0.00 17 Q H H 126.25 1.68 17.35 18.40 93.29 49.77 -69.31 -36.52 4.82 0.00 95.17 0.15 0.21 4.39 94.83 0.41 0.01 0.00 0.00 18 V H H 76.65 6.11 14.63 21.81 98.81 37.68 -85.22 -33.98 8.97 0.03 91.00 0.41 1.20 7.13 90.97 0.24 0.02 0.00 0.02 19 H C C 67.20 9.46 10.41 21.32 111.46 23.67 -132.66 69.39 98.93 0.23 0.84 61.21 36.43 1.18 0.75 0.14 0.00 0.05 0.25 20 P C T 90.27 4.83 11.23 18.42 94.76 166.15 -63.29 -26.18 86.05 0.26 13.69 17.45 7.09 61.40 3.06 10.69 0.00 0.13 0.17 21 D C T 128.59 0.72 14.42 13.78 95.78 53.51 -84.67 3.41 82.42 0.23 17.34 8.38 10.08 63.53 4.82 12.88 0.00 0.12 0.19 22 T C C 58.72 9.17 10.87 21.17 99.95 88.09 -90.72 -2.15 82.51 0.61 16.88 31.66 31.00 20.42 6.28 9.82 0.00 0.21 0.61 23 G C C 42.15 4.12 16.53 21.58 101.24 -123.71 77.43 3.17 83.54 1.03 15.43 43.19 25.99 14.29 12.47 2.98 0.00 0.35 0.74 24 I C H 61.44 11.56 13.38 25.60 98.96 111.16 -77.97 -23.06 49.79 0.89 49.32 35.87 7.93 5.75 47.71 1.96 0.00 0.29 0.49 25 S H H 51.63 8.72 15.08 24.79 94.30 75.61 -64.92 -42.75 15.59 0.17 84.24 9.97 2.25 3.74 82.39 1.51 0.00 0.07 0.07 26 S H H 77.46 1.94 18.22 19.60 93.01 47.81 -66.76 -39.35 3.72 0.03 96.25 1.35 0.56 1.74 95.22 1.11 0.00 0.01 0.01 27 K H H 123.14 2.67 18.66 21.31 92.57 49.06 -66.84 -40.37 2.08 0.02 97.90 0.67 0.26 1.05 97.18 0.82 0.00 0.01 0.00 28 A H H 19.82 13.44 14.21 28.74 92.33 50.62 -64.96 -41.86 1.42 0.01 98.57 0.42 0.14 0.71 98.25 0.47 0.00 0.00 0.00 29 M H H 76.62 8.58 17.26 26.77 91.88 51.79 -63.43 -41.06 0.67 0.00 99.32 0.17 0.06 0.33 99.27 0.17 0.00 0.00 0.00 30 G H H 38.45 2.39 19.78 21.41 91.62 51.09 -63.78 -41.87 0.74 0.00 99.26 0.13 0.04 0.44 99.24 0.14 0.00 0.00 0.00 31 I H H 80.81 4.81 19.34 24.70 91.98 48.96 -65.17 -42.02 0.56 0.00 99.44 0.09 0.03 0.33 99.43 0.12 0.00 0.00 0.00 32 M H H 51.35 12.99 16.27 29.77 91.89 50.21 -64.29 -41.72 0.49 0.00 99.51 0.09 0.03 0.27 99.51 0.10 0.00 0.00 0.00 33 N H H 78.36 5.92 18.71 25.37 91.63 50.84 -63.87 -40.42 0.73 0.00 99.27 0.12 0.04 0.44 99.28 0.12 0.00 0.00 0.00 34 S H H 61.81 2.24 20.17 21.34 91.81 50.61 -65.06 -41.24 1.01 0.00 98.99 0.12 0.05 0.68 98.99 0.16 0.00 0.00 0.00 35 F H H 82.67 7.45 18.51 26.92 92.09 49.44 -65.03 -41.97 0.95 0.00 99.05 0.13 0.06 0.62 99.02 0.16 0.00 0.00 0.00 36 V H H 40.56 12.15 16.42 29.41 92.01 50.04 -64.41 -42.09 0.68 0.00 99.32 0.13 0.05 0.38 99.33 0.10 0.00 0.00 0.00 37 N H H 82.17 3.69 19.42 23.30 91.68 50.82 -64.04 -40.83 0.72 0.00 99.28 0.13 0.04 0.42 99.32 0.09 0.00 0.00 0.00 38 D H H 77.42 2.67 20.07 22.12 91.98 50.13 -65.32 -41.07 0.78 0.00 99.22 0.11 0.04 0.50 99.25 0.10 0.00 0.00 0.00 39 I H H 48.32 10.46 17.46 29.00 92.06 50.10 -64.60 -42.60 0.42 0.00 99.58 0.06 0.02 0.26 99.59 0.07 0.00 0.00 0.00 40 F H H 75.40 11.08 17.16 28.77 91.84 50.59 -63.76 -41.29 0.25 0.00 99.75 0.03 0.01 0.14 99.74 0.07 0.00 0.00 0.00 41 E H H 117.06 2.36 20.39 22.25 91.78 50.29 -64.66 -40.96 0.32 0.00 99.68 0.03 0.01 0.20 99.66 0.09 0.00 0.00 0.00 42 R H H 124.86 3.68 20.15 23.89 91.95 49.23 -65.57 -41.30 0.72 0.00 99.28 0.06 0.04 0.51 99.24 0.15 0.00 0.00 0.00 43 I H H 38.70 13.77 16.88 31.18 92.32 47.93 -65.79 -41.68 1.53 0.01 98.46 0.20 0.12 1.02 98.46 0.20 0.00 0.00 0.00 44 A H H 44.02 7.85 18.34 27.25 91.75 51.19 -63.26 -41.22 3.16 0.01 96.82 0.53 0.26 2.01 96.81 0.38 0.00 0.00 0.00 45 G H H 37.11 2.50 21.26 22.83 92.02 50.42 -64.34 -42.38 7.31 0.03 92.66 1.16 0.64 5.02 92.44 0.70 0.01 0.01 0.01 46 E H H 78.68 7.09 20.24 28.00 92.21 49.02 -65.69 -40.78 4.75 0.03 95.22 1.17 0.57 2.73 94.58 0.93 0.00 0.01 0.01 47 A H H 22.67 14.51 15.67 30.84 92.01 52.20 -63.75 -40.60 3.21 0.02 96.77 0.94 0.35 1.68 95.51 1.50 0.00 0.01 0.01 48 S H H 58.64 4.14 20.14 24.50 91.72 51.59 -64.33 -39.79 4.11 0.03 95.85 0.95 0.40 2.54 93.59 2.48 0.01 0.02 0.01 49 R H H 133.09 2.45 20.59 22.32 92.31 50.29 -65.83 -39.92 5.51 0.06 94.43 1.03 0.59 3.77 91.52 3.02 0.02 0.04 0.02 50 L H H 45.62 10.00 15.57 27.08 92.78 50.19 -66.59 -38.73 7.18 0.13 92.69 1.66 0.90 4.53 88.61 4.14 0.02 0.08 0.04 51 A H H 38.98 9.10 13.60 24.21 92.89 55.33 -65.79 -34.43 17.31 0.30 82.39 3.46 1.79 11.90 76.61 5.90 0.05 0.18 0.11 52 H H H 130.63 2.21 15.56 17.90 95.26 53.24 -72.94 -24.67 30.91 0.47 68.62 5.30 3.27 22.31 62.75 5.81 0.08 0.25 0.22 53 Y H H 143.14 3.47 12.90 17.49 99.66 54.70 -82.04 -22.76 43.04 1.06 55.90 11.30 9.24 24.19 49.17 4.89 0.15 0.47 0.58 54 N C T 86.45 6.05 10.61 18.11 105.99 46.23 -96.73 61.51 64.86 1.01 34.12 22.02 12.25 30.79 29.80 4.11 0.03 0.42 0.58 55 K C T 159.72 2.08 12.01 15.41 98.08 -135.07 -39.30 7.79 75.90 0.75 23.35 20.99 17.71 37.79 16.55 6.12 0.01 0.30 0.53 56 R C C 152.71 3.49 11.62 16.60 109.14 91.34 -91.93 92.13 79.57 1.13 19.30 30.85 20.03 29.45 10.81 7.60 0.01 0.47 0.77 57 S C C 71.60 5.71 11.77 18.99 107.89 -154.64 -88.80 69.30 85.82 2.13 12.05 41.60 24.87 19.97 4.89 6.59 0.00 1.07 1.00 58 T C C 89.63 4.58 15.39 21.21 114.34 99.05 -101.30 120.68 84.75 7.70 7.55 53.83 19.94 11.37 3.49 4.02 0.01 5.00 2.34 59 I C C 38.27 17.38 10.10 26.97 118.71 88.30 -101.73 130.94 88.97 9.32 1.71 73.16 14.78 0.91 1.45 0.49 0.00 5.02 4.18 60 T C C 64.70 3.65 20.98 24.23 123.53 -141.16 -89.36 163.19 94.56 4.15 1.28 93.26 1.51 0.34 1.10 0.16 0.00 2.43 1.20 61 S H H 56.03 11.84 13.28 25.58 91.71 -105.07 -59.05 -38.77 2.64 0.01 97.35 0.72 0.46 1.24 97.17 0.41 0.00 0.00 0.00 62 R H H 155.00 2.07 18.83 20.84 91.66 53.49 -63.99 -39.94 0.90 0.00 99.10 0.14 0.09 0.54 98.92 0.31 0.00 0.00 0.00 63 E H H 77.94 8.53 18.72 27.92 91.79 49.32 -65.94 -40.75 0.35 0.00 99.65 0.07 0.03 0.19 99.41 0.30 0.00 0.00 0.00 64 I H H 14.60 20.79 15.68 36.43 91.95 50.17 -64.06 -43.05 0.15 0.00 99.85 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 65 Q H H 67.79 11.62 20.57 32.19 91.30 50.93 -62.69 -41.61 0.19 0.00 99.81 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 66 T H H 62.12 4.06 23.74 27.51 91.75 49.83 -64.54 -41.90 0.37 0.00 99.63 0.03 0.02 0.26 99.58 0.10 0.00 0.00 0.00 67 A H H 16.25 14.65 19.91 35.23 91.79 50.83 -64.16 -42.03 0.56 0.00 99.44 0.05 0.03 0.43 99.21 0.30 0.00 0.00 0.00 68 V H H 12.71 21.32 18.11 39.09 91.83 50.18 -64.21 -41.32 0.85 0.00 99.15 0.06 0.04 0.67 98.00 1.22 0.00 0.00 0.00 69 R H H 115.35 9.29 20.85 30.36 91.18 53.61 -64.39 -34.56 2.78 0.01 97.22 0.15 0.13 2.39 94.42 2.91 0.00 0.00 0.00 70 L H H 89.43 6.50 21.33 27.95 92.09 53.82 -70.44 -29.09 12.16 0.01 87.82 0.30 0.42 11.72 85.20 2.33 0.01 0.00 0.01 71 L H H 46.81 15.23 17.55 32.46 96.34 44.53 -87.74 -22.89 25.53 0.07 74.40 1.23 2.64 21.62 72.97 1.42 0.05 0.02 0.06 72 L C S 32.20 18.15 12.50 30.29 114.40 65.17 -107.27 115.42 98.15 0.30 1.55 20.71 75.69 1.61 1.51 0.16 0.00 0.07 0.25 73 P C C 79.79 5.05 16.53 22.64 113.58 -133.22 -68.36 145.51 89.50 0.39 10.11 63.99 11.81 13.23 8.20 2.30 0.00 0.15 0.32 74 G H H 44.80 3.01 17.09 20.49 119.07 19.31 77.19 -153.55 42.28 0.50 57.23 11.44 15.90 16.56 49.76 5.77 0.07 0.17 0.34 75 E H H 129.48 3.03 17.07 20.61 93.95 -21.80 -66.55 -35.25 13.45 0.20 86.35 4.05 2.59 7.17 77.99 7.95 0.05 0.11 0.08 76 L H H 52.83 11.56 14.82 27.29 92.13 54.79 -64.76 -39.35 6.90 0.20 92.90 2.81 1.04 3.20 84.82 7.93 0.01 0.14 0.05 77 A H H 23.42 14.20 14.00 28.92 91.99 53.26 -64.21 -39.68 4.71 0.14 95.15 1.99 0.65 2.07 87.57 7.58 0.00 0.11 0.02 78 K H H 126.83 3.24 20.45 23.98 92.41 51.23 -66.20 -37.01 7.81 0.23 91.96 2.26 1.07 4.48 84.53 7.40 0.03 0.17 0.05 79 H H H 89.38 6.08 19.10 25.85 94.34 50.34 -70.91 -36.08 13.90 0.49 85.61 4.27 2.11 7.87 78.63 6.60 0.05 0.33 0.14 80 A H H 24.79 15.42 14.69 30.27 95.06 63.72 -65.71 -39.83 21.58 1.62 76.80 11.38 4.00 7.71 70.50 4.87 0.06 1.03 0.45 81 V H H 69.61 9.78 17.39 27.46 94.93 50.46 -68.84 -37.08 27.59 2.68 69.73 14.71 4.83 9.64 63.35 4.89 0.08 1.79 0.71 82 S H H 65.96 3.90 18.25 22.38 96.13 53.63 -72.70 -34.74 37.85 1.96 60.19 17.24 7.13 14.93 53.88 4.93 0.08 1.13 0.68 83 E C H 106.58 6.35 16.92 23.89 97.01 46.95 -75.47 -23.21 56.66 0.74 42.60 10.56 10.67 34.56 38.77 4.66 0.06 0.33 0.39 84 G C T 27.95 11.64 15.48 27.21 99.93 48.02 -59.10 -34.07 65.68 0.67 33.66 19.25 12.20 34.09 29.16 4.65 0.02 0.29 0.34 85 T H H 59.79 10.23 15.75 26.46 96.41 59.64 -70.72 -31.60 47.88 1.65 50.47 32.60 7.77 7.86 45.65 4.69 0.01 0.89 0.53 86 K H H 116.64 4.28 19.48 24.17 95.09 62.06 -67.76 -36.43 34.89 3.33 61.78 24.29 5.75 6.50 55.51 4.95 0.02 2.26 0.72 87 A H H 37.63 9.32 16.11 26.70 93.89 57.95 -66.38 -38.49 25.17 4.19 70.65 18.51 3.89 4.68 63.60 5.27 0.02 3.43 0.60 88 V H H 51.84 12.04 15.28 27.71 93.70 52.70 -67.63 -38.78 19.70 4.77 75.53 14.61 3.04 3.86 68.76 4.90 0.03 4.24 0.56 89 T H H 70.11 5.74 16.61 23.28 94.40 54.16 -68.51 -38.25 20.83 4.02 75.15 15.01 3.11 4.41 68.67 4.74 0.03 3.51 0.52 90 K H H 122.18 3.42 16.64 20.59 95.31 53.63 -70.90 -35.08 24.24 2.73 73.03 15.31 4.07 6.54 66.86 4.61 0.04 2.08 0.50 91 Y H H 102.57 9.00 12.18 22.08 98.65 54.60 -77.42 -27.27 28.66 1.99 69.35 16.97 5.11 8.21 63.84 4.04 0.04 1.26 0.52 92 T H H 76.38 6.37 11.76 19.44 100.83 57.67 -80.30 -21.65 36.05 1.38 62.58 19.94 6.17 10.79 58.64 3.23 0.03 0.74 0.46 93 S C H 80.88 2.54 11.34 15.00 99.75 60.60 -79.84 -10.11 49.78 1.21 49.01 23.41 8.73 18.04 45.43 3.28 0.03 0.56 0.52 94 A C C 75.72 3.70 8.82 14.34 103.08 76.66 -82.17 17.45 71.31 0.76 27.92 49.00 2.67 18.33 27.14 2.10 0.00 0.36 0.40 95 K C C 147.20 2.97 11.69 16.27 106.64 96.74 -84.12 75.67 99.88 0.03 0.08 99.69 0.10 0.14 0.05 0.00 0.00 0.02 0.00