# 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 142.36 3.25 13.14 17.90 113.54 -137.27 -85.57 134.75 99.86 0.04 0.09 99.73 0.10 0.08 0.06 0.00 0.00 0.01 0.01 1 R C C 132.43 6.21 9.42 17.26 113.75 -127.96 -85.95 137.40 81.13 0.87 18.00 75.61 1.16 4.04 17.13 1.23 0.00 0.34 0.49 2 S C C 60.85 3.32 11.63 16.31 116.22 -126.56 -81.71 158.45 70.86 0.85 28.30 56.20 6.19 6.41 28.20 2.21 0.00 0.34 0.45 3 R H H 151.64 4.35 11.25 17.40 93.74 -109.43 -61.92 -35.85 24.45 0.32 75.22 11.00 5.63 9.27 69.69 4.11 0.02 0.14 0.16 4 K H H 124.98 3.83 14.11 19.22 92.90 53.38 -66.64 -38.64 18.11 0.27 81.61 7.33 3.64 7.91 76.55 4.28 0.02 0.13 0.13 5 E H H 95.85 4.94 15.37 21.30 93.44 50.41 -67.81 -38.46 16.16 0.28 83.56 7.67 2.94 6.17 79.16 3.79 0.01 0.13 0.13 6 S H H 44.97 6.28 15.63 23.42 93.80 53.12 -66.57 -40.47 15.66 0.18 84.16 8.13 2.35 5.16 82.37 1.82 0.01 0.07 0.09 7 Y H H 82.77 9.49 17.40 27.70 92.59 50.61 -65.71 -40.83 6.67 0.06 93.28 2.63 0.96 2.87 92.63 0.86 0.00 0.02 0.02 8 S H H 34.49 10.03 17.41 28.63 92.01 52.00 -64.18 -40.91 4.41 0.03 95.55 1.58 0.48 2.21 95.12 0.57 0.00 0.01 0.01 9 V H H 62.03 6.27 19.62 26.60 92.00 50.52 -64.56 -42.05 2.21 0.01 97.78 0.37 0.18 1.64 97.47 0.32 0.00 0.00 0.00 10 Y H H 96.88 6.56 20.67 27.80 91.78 50.17 -64.34 -42.53 0.68 0.00 99.32 0.11 0.05 0.43 99.29 0.11 0.00 0.00 0.00 11 V H H 33.13 13.55 18.45 32.52 91.86 49.56 -64.21 -42.72 0.28 0.00 99.72 0.03 0.02 0.21 99.68 0.07 0.00 0.00 0.00 12 Y H H 71.86 11.99 18.55 30.99 91.89 50.49 -64.03 -41.92 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 13 K H H 103.45 3.95 21.73 25.42 91.71 50.31 -64.46 -41.40 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 14 V H H 46.10 7.46 18.99 27.81 91.89 49.33 -64.34 -42.30 0.28 0.00 99.72 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 15 L H H 25.04 14.56 14.57 30.13 91.85 50.35 -64.25 -40.50 0.40 0.00 99.60 0.03 0.02 0.29 99.53 0.12 0.00 0.00 0.00 16 K H H 101.43 7.56 15.59 24.20 92.04 52.84 -65.16 -37.03 1.72 0.00 98.28 0.09 0.07 1.47 98.02 0.34 0.00 0.00 0.00 17 Q H H 126.30 1.69 17.21 18.37 93.44 48.92 -70.54 -36.91 4.60 0.00 95.40 0.14 0.21 4.18 95.14 0.33 0.00 0.00 0.00 18 V H H 78.74 5.72 14.64 21.46 99.05 36.57 -86.70 -34.12 8.68 0.03 91.29 0.38 1.17 6.91 91.30 0.20 0.02 0.00 0.02 19 H C C 67.94 9.12 10.32 21.01 111.95 24.29 -132.80 71.06 99.33 0.20 0.47 65.96 32.52 0.78 0.39 0.08 0.00 0.05 0.22 20 P C T 92.59 4.61 11.15 18.18 94.17 167.71 -63.12 -26.08 86.21 0.19 13.61 11.51 6.03 68.38 2.84 11.00 0.00 0.10 0.13 21 D C T 129.40 0.66 14.51 13.70 95.41 54.97 -85.13 -0.01 83.33 0.17 16.50 5.67 7.88 69.46 3.99 12.77 0.00 0.09 0.13 22 T C C 56.34 9.78 10.80 21.55 101.22 85.77 -89.74 -2.46 82.98 0.69 16.33 32.56 32.37 18.66 5.51 9.98 0.00 0.24 0.68 23 G C C 40.00 4.57 16.83 22.38 105.35 -125.08 79.89 16.40 86.94 1.32 11.74 56.20 19.20 11.33 9.09 2.70 0.00 0.48 0.99 24 I C C 56.80 13.71 12.62 26.37 100.54 116.70 -81.00 -12.05 56.29 1.34 42.36 42.41 7.79 5.57 40.93 2.12 0.00 0.49 0.69 25 S H H 53.68 7.05 15.80 23.94 95.77 80.14 -67.77 -44.07 25.27 0.34 74.40 17.76 3.45 4.64 72.22 1.64 0.00 0.13 0.14 26 S H H 78.33 2.11 17.45 19.33 93.24 40.12 -66.67 -38.61 5.07 0.04 94.89 1.87 0.84 2.34 93.56 1.34 0.00 0.02 0.02 27 K H H 128.70 2.34 18.08 20.30 92.72 49.08 -67.29 -40.21 2.78 0.03 97.20 0.87 0.37 1.44 96.28 1.02 0.00 0.01 0.01 28 A H H 22.74 12.46 14.09 27.78 92.49 50.41 -65.39 -41.63 1.92 0.02 98.06 0.59 0.22 0.99 97.55 0.64 0.00 0.01 0.00 29 M H H 76.13 8.68 16.71 26.37 91.95 51.80 -63.66 -40.95 0.92 0.00 99.07 0.25 0.09 0.45 98.98 0.23 0.00 0.00 0.00 30 G H H 37.98 2.48 19.30 21.20 91.67 51.44 -63.56 -42.01 0.91 0.00 99.08 0.18 0.06 0.52 99.07 0.17 0.00 0.00 0.00 31 I H H 83.08 4.23 19.17 23.79 91.90 49.00 -65.10 -42.03 0.68 0.00 99.31 0.12 0.05 0.40 99.29 0.14 0.00 0.00 0.00 32 M H H 53.39 12.23 16.20 29.11 91.94 50.09 -64.44 -41.75 0.61 0.00 99.39 0.13 0.04 0.33 99.37 0.12 0.00 0.00 0.00 33 N H H 76.94 6.24 18.33 25.40 91.76 50.94 -63.87 -40.17 0.88 0.00 99.12 0.16 0.05 0.53 99.10 0.15 0.00 0.00 0.00 34 S H H 62.49 2.21 19.81 21.00 91.97 50.56 -65.00 -41.22 1.23 0.00 98.77 0.14 0.07 0.85 98.73 0.21 0.00 0.00 0.00 35 F H H 88.61 6.46 18.52 25.89 92.19 49.28 -65.28 -41.99 1.28 0.00 98.71 0.17 0.09 0.88 98.64 0.23 0.00 0.00 0.00 36 V H H 41.63 11.75 16.32 28.96 92.09 49.96 -64.57 -42.00 0.92 0.00 99.08 0.18 0.07 0.53 99.09 0.12 0.00 0.00 0.00 37 N H H 80.41 4.09 19.03 23.52 91.86 50.99 -64.04 -40.88 0.96 0.00 99.04 0.21 0.07 0.55 99.06 0.12 0.00 0.00 0.00 38 D H H 77.91 2.55 19.88 21.75 91.93 50.16 -65.24 -40.97 0.95 0.00 99.05 0.16 0.06 0.59 99.05 0.13 0.00 0.00 0.00 39 I H H 54.08 9.43 17.60 28.16 91.99 50.17 -64.66 -42.54 0.51 0.00 99.49 0.07 0.03 0.32 99.48 0.10 0.00 0.00 0.00 40 F H H 72.54 11.25 16.89 28.69 91.85 50.44 -64.13 -41.23 0.31 0.00 99.69 0.04 0.02 0.18 99.66 0.10 0.00 0.00 0.00 41 E H H 115.61 2.57 20.12 22.42 91.82 50.40 -64.55 -41.07 0.41 0.00 99.59 0.05 0.02 0.27 99.53 0.13 0.00 0.00 0.00 42 R H H 127.61 3.26 20.09 23.26 92.02 49.29 -65.36 -41.38 0.98 0.00 99.02 0.09 0.05 0.73 98.92 0.21 0.00 0.00 0.00 43 I H H 42.92 12.73 17.00 30.38 92.27 47.40 -66.15 -41.62 2.21 0.01 97.77 0.29 0.18 1.54 97.71 0.27 0.00 0.01 0.00 44 A H H 42.13 8.39 17.79 27.30 91.75 51.77 -63.37 -40.83 4.02 0.02 95.96 0.71 0.35 2.58 95.79 0.55 0.00 0.01 0.01 45 G H H 37.38 2.52 20.93 22.60 91.98 50.52 -64.00 -42.38 8.50 0.04 91.46 1.42 0.80 5.86 90.91 0.96 0.01 0.02 0.02 46 E H H 85.35 5.93 20.45 26.86 92.24 48.85 -65.64 -40.64 5.34 0.03 94.62 1.39 0.68 3.05 93.54 1.31 0.01 0.01 0.01 47 A H H 22.44 14.16 15.45 30.36 91.97 52.15 -64.05 -40.71 3.58 0.03 96.40 1.05 0.41 1.90 94.47 2.15 0.00 0.01 0.01 48 S H H 56.96 4.79 19.46 24.77 91.76 51.94 -64.47 -39.86 4.55 0.04 95.41 1.06 0.45 2.81 92.13 3.51 0.01 0.03 0.01 49 R H H 135.95 2.26 20.33 21.78 92.39 50.29 -65.95 -39.80 6.20 0.07 93.73 1.11 0.67 4.28 89.74 4.11 0.02 0.04 0.02 50 L H H 52.06 8.96 15.72 26.19 93.06 50.00 -67.52 -37.52 8.74 0.16 91.10 1.95 1.10 5.59 85.81 5.37 0.03 0.10 0.05 51 A H H 36.99 9.82 13.08 24.29 93.03 56.97 -66.13 -33.74 21.23 0.40 78.37 4.44 2.21 14.29 71.80 6.79 0.06 0.24 0.16 52 H H H 129.11 2.52 15.16 18.08 95.72 53.90 -74.58 -23.22 36.76 0.68 62.55 6.90 3.91 25.87 55.67 6.88 0.09 0.38 0.32 53 Y C H 147.73 3.14 12.75 16.95 100.27 54.36 -82.98 -18.84 52.07 1.37 46.56 12.86 11.95 28.48 39.95 5.23 0.16 0.61 0.76 54 N C T 90.32 5.43 10.76 17.66 105.86 43.68 -99.77 56.95 71.09 0.95 27.96 21.65 14.46 34.98 23.20 4.72 0.02 0.40 0.56 55 K C T 157.70 2.31 11.67 15.49 99.20 -137.73 -60.74 10.30 78.43 0.86 20.70 24.96 19.71 34.41 12.90 7.06 0.01 0.35 0.59 56 R C C 152.66 3.50 11.76 16.78 107.41 95.26 -92.69 69.90 79.70 1.63 18.67 38.80 18.12 23.38 9.14 8.85 0.01 0.74 0.96 57 S C C 68.41 6.37 11.59 19.38 107.70 130.83 -87.79 82.77 83.99 3.13 12.88 47.82 20.83 15.85 4.98 7.55 0.01 1.78 1.18 58 T C C 90.16 4.64 15.46 21.35 114.57 130.99 -101.78 129.74 81.28 10.13 8.59 53.37 18.22 10.01 4.11 4.56 0.02 7.06 2.65 59 I C C 39.25 16.95 10.28 26.84 119.15 -142.13 -103.78 131.94 86.42 11.63 1.95 70.38 15.05 0.89 1.70 0.56 0.00 6.59 4.81 60 T C C 64.46 3.65 20.74 24.04 123.19 -138.59 -87.13 163.32 93.56 5.06 1.38 92.39 1.61 0.33 1.23 0.17 0.00 2.87 1.40 61 S H H 56.66 11.60 13.13 25.25 91.91 -104.87 -58.89 -39.04 2.50 0.01 97.49 0.64 0.42 1.22 97.29 0.42 0.00 0.00 0.00 62 R H H 156.24 1.97 18.52 20.39 91.66 52.66 -64.13 -39.88 0.95 0.00 99.04 0.15 0.09 0.58 98.85 0.33 0.00 0.00 0.00 63 E H H 81.74 7.58 18.75 27.07 91.80 49.50 -66.00 -40.70 0.41 0.00 99.58 0.09 0.04 0.23 99.29 0.36 0.00 0.00 0.00 64 I H H 15.67 20.30 15.38 35.63 91.87 50.18 -63.98 -42.91 0.17 0.00 99.82 0.04 0.01 0.09 99.77 0.10 0.00 0.00 0.00 65 Q H H 66.88 11.73 20.12 31.92 91.32 50.85 -62.74 -41.49 0.24 0.00 99.76 0.03 0.01 0.14 99.74 0.07 0.00 0.00 0.00 66 T H H 64.44 3.63 23.50 26.62 91.73 49.75 -64.74 -41.88 0.44 0.00 99.56 0.05 0.02 0.30 99.51 0.12 0.00 0.00 0.00 67 A H H 18.32 13.54 19.72 34.11 91.80 50.69 -64.15 -41.91 0.70 0.00 99.30 0.07 0.04 0.51 99.01 0.37 0.00 0.00 0.00 68 V H H 12.93 21.23 17.37 38.27 91.76 50.33 -64.18 -41.36 1.06 0.00 98.94 0.09 0.06 0.81 97.74 1.28 0.00 0.00 0.00 69 R H H 116.70 9.19 20.27 29.78 91.33 53.70 -64.73 -34.12 3.28 0.01 96.71 0.21 0.18 2.79 94.36 2.46 0.00 0.00 0.00 70 L H H 95.19 5.44 21.29 26.86 92.19 53.77 -70.97 -29.26 12.82 0.02 87.16 0.37 0.51 12.19 85.00 1.90 0.01 0.01 0.01 71 L H H 48.96 14.76 17.40 31.95 97.30 42.38 -89.40 -23.53 25.98 0.08 73.94 1.28 2.72 21.86 72.80 1.21 0.05 0.02 0.06 72 L C S 29.55 18.60 12.00 30.18 116.81 62.14 -109.35 123.27 98.24 0.35 1.40 18.69 77.96 1.48 1.35 0.15 0.00 0.09 0.28 73 P C C 81.69 4.50 16.85 22.27 114.14 -128.74 -68.47 147.40 90.60 0.39 9.00 63.93 13.03 13.27 7.11 2.19 0.00 0.15 0.31 74 G H H 45.16 2.67 17.21 20.22 119.59 19.52 77.30 -152.97 40.76 0.49 58.75 9.52 15.71 17.11 51.05 6.01 0.08 0.17 0.35 75 E H H 129.18 3.04 17.44 20.96 93.63 -21.26 -66.79 -34.90 13.22 0.20 86.58 3.42 2.50 7.55 77.94 8.34 0.06 0.11 0.08 76 L H H 45.20 12.90 14.89 28.53 92.00 54.67 -64.70 -38.94 6.69 0.21 93.10 2.56 1.01 3.26 84.56 8.40 0.02 0.15 0.04 77 A H H 21.42 15.04 14.26 29.89 91.93 54.01 -64.16 -38.94 4.75 0.16 95.09 1.89 0.66 2.19 87.09 8.00 0.01 0.13 0.03 78 K H H 128.00 3.14 21.18 24.50 92.26 51.28 -66.42 -37.52 8.72 0.27 91.01 2.14 1.16 5.44 83.19 7.76 0.03 0.20 0.06 79 H H H 86.85 6.75 19.58 26.93 94.54 50.13 -73.60 -33.07 16.49 0.63 82.87 4.52 2.42 10.01 75.87 6.49 0.07 0.43 0.18 80 A H H 20.74 17.04 14.77 31.69 95.02 66.25 -66.22 -40.21 25.34 2.63 72.02 13.67 4.79 8.68 65.48 4.90 0.08 1.70 0.70 81 V H H 65.95 10.97 17.77 28.76 96.07 50.22 -70.05 -36.22 29.39 3.93 66.68 15.64 5.36 10.18 59.42 5.57 0.12 2.72 0.99 82 S H H 65.09 4.27 18.72 23.24 96.44 55.54 -72.63 -36.56 38.07 2.74 59.19 16.57 7.71 15.46 51.55 5.98 0.15 1.67 0.89 83 E C H 106.79 6.46 17.50 24.55 96.70 43.40 -74.39 -26.15 56.46 0.93 42.61 10.56 10.94 34.29 37.44 5.78 0.09 0.43 0.48 84 G C T 25.89 12.33 15.38 27.81 99.62 46.67 -57.67 -37.11 67.45 0.85 31.70 21.32 13.37 32.84 26.20 5.45 0.02 0.38 0.43 85 T C H 58.24 10.97 15.74 27.09 95.91 58.51 -70.78 -32.69 51.25 2.03 46.72 34.67 8.45 8.52 40.31 6.25 0.01 1.14 0.65 86 K H H 119.66 4.23 19.34 24.05 94.26 59.36 -68.00 -34.90 40.33 4.26 55.41 26.16 7.54 8.28 47.03 7.06 0.05 2.93 0.95 87 A H H 40.95 9.15 16.13 26.47 94.18 57.25 -67.91 -35.51 33.84 6.04 60.12 23.54 5.68 6.40 51.13 7.38 0.04 4.86 0.96 88 V H H 49.50 13.24 14.44 27.86 95.44 52.79 -71.29 -34.26 29.70 7.39 62.91 21.57 4.89 5.28 54.44 6.55 0.05 6.18 1.04 89 T H H 70.19 6.52 15.76 23.30 95.87 59.89 -71.18 -32.23 32.87 6.31 60.82 23.72 4.82 5.87 53.62 5.74 0.04 5.27 0.91 90 K H H 127.15 3.64 15.79 20.22 97.57 56.21 -75.43 -25.81 37.69 5.06 57.24 24.29 6.29 8.70 50.17 5.67 0.05 3.88 0.94 91 Y H H 112.20 8.85 11.44 21.20 100.65 64.76 -82.71 -8.47 44.75 3.54 51.71 26.41 8.22 11.63 45.77 4.74 0.05 2.21 0.95 92 T C H 81.53 6.32 10.87 18.56 104.02 68.72 -88.74 8.37 56.14 2.89 40.98 32.71 8.90 14.52 37.91 3.38 0.03 1.56 1.00 93 S C C 81.90 2.98 10.24 14.88 105.78 74.43 -87.56 55.00 79.27 1.09 19.64 59.14 2.76 16.14 19.10 1.77 0.00 0.55 0.54 94 S C C 84.71 3.02 12.20 16.75 105.72 -94.47 -87.40 48.13 99.94 0.03 0.03 99.75 0.11 0.10 0.02 0.00 0.00 0.01 0.00