# 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 A C C 65.82 6.90 13.86 21.80 114.48 -128.58 -80.06 138.48 99.76 0.18 0.05 99.47 0.25 0.12 0.02 0.01 0.00 0.09 0.04 1 H C C 129.54 4.86 11.01 17.61 113.63 -141.05 -89.29 133.07 90.75 3.87 5.39 79.99 2.26 9.07 1.80 2.75 0.00 2.31 1.81 2 G C C 47.87 4.77 10.36 16.69 113.00 -31.74 96.77 158.86 86.86 6.14 7.00 53.19 14.74 18.84 1.61 5.44 0.00 3.25 2.93 3 H C C 131.39 4.29 9.81 15.70 109.23 -107.21 -91.87 101.46 82.17 7.14 10.69 40.11 19.01 23.75 2.21 8.11 0.01 3.55 3.23 4 G C C 50.96 3.70 11.25 16.45 108.44 -19.57 80.02 -7.89 83.14 4.37 12.48 33.80 23.33 26.67 2.21 9.82 0.01 2.05 2.12 5 H C C 130.14 4.39 9.78 15.78 107.78 85.14 -88.73 74.30 78.83 3.96 17.22 36.97 19.69 22.51 2.80 14.18 0.01 1.86 1.99 6 E C C 136.52 2.84 10.42 14.88 108.36 108.12 -90.14 99.59 80.81 4.21 14.98 37.69 20.99 22.52 2.65 12.09 0.01 2.01 2.04 7 H C C 134.28 3.64 9.95 15.30 108.22 123.09 -93.96 71.37 85.02 4.61 10.36 43.65 24.88 16.60 2.29 7.87 0.00 2.04 2.66 8 G C C 40.53 5.06 10.67 17.31 125.68 67.90 -107.24 175.93 93.74 3.26 2.99 53.72 30.53 9.35 0.66 2.43 0.00 1.47 1.84 9 P C C 98.30 3.34 10.57 15.39 107.81 -60.25 -73.73 136.19 91.03 2.30 6.67 51.34 22.98 16.15 1.15 6.08 0.00 1.14 1.15 10 S C C 80.90 3.14 10.37 15.18 108.04 -108.45 -80.14 119.87 89.83 2.24 7.93 51.68 21.49 15.85 1.15 7.69 0.00 1.18 0.97 11 K C C 154.37 2.19 11.79 15.19 107.29 -104.75 -84.35 85.74 89.00 4.37 6.63 60.58 17.63 10.08 1.07 6.38 0.00 2.73 1.52 12 M C C 82.90 10.64 8.61 19.77 116.60 93.35 -94.19 133.95 84.09 13.90 2.01 73.83 7.84 1.78 0.56 1.56 0.00 10.06 4.38 13 E C C 139.73 2.17 17.38 20.10 117.08 -142.21 -94.24 136.30 74.60 24.64 0.76 69.89 3.93 0.60 0.30 0.50 0.00 13.57 11.21 14 L C C 75.09 14.26 11.67 25.67 115.72 -117.59 -80.96 135.74 94.77 5.16 0.07 91.50 3.49 0.11 0.03 0.03 0.00 3.89 0.95 15 P C C 36.45 13.84 11.67 26.38 115.39 -107.29 -65.56 150.12 98.73 1.17 0.10 95.42 3.28 0.23 0.03 0.04 0.00 0.58 0.41 16 D C C 85.51 3.35 17.62 21.44 107.90 -115.39 -82.35 115.82 98.76 0.92 0.31 97.67 0.99 0.21 0.10 0.10 0.00 0.26 0.67 17 Y H G 96.83 13.67 8.94 22.73 92.79 -158.98 -66.81 -21.18 38.24 0.48 61.28 6.15 4.29 26.30 3.51 59.29 0.00 0.29 0.16 18 K H G 159.13 1.39 14.04 15.85 91.28 67.62 -69.94 -19.70 38.22 0.50 61.28 2.76 4.29 29.59 3.24 59.63 0.00 0.30 0.19 19 Q H G 115.59 3.03 13.73 17.62 96.93 55.62 -85.16 -19.67 34.60 1.59 63.82 5.94 7.41 21.62 3.00 60.59 0.01 1.03 0.40 20 W C C 77.77 13.99 9.46 23.37 123.13 58.36 -118.06 138.82 81.52 9.36 9.12 60.17 17.12 4.16 2.85 6.30 0.01 5.80 3.59 21 K C C 133.91 3.45 17.19 22.06 119.46 -163.83 -114.51 131.65 83.55 14.71 1.74 78.64 3.45 1.29 0.72 0.93 0.00 10.30 4.66 22 I C C 49.38 16.12 9.30 24.87 112.46 -157.68 -103.34 114.70 77.41 20.48 2.11 72.10 2.88 1.48 0.98 1.12 0.00 14.27 7.17 23 E C T 139.86 2.23 13.82 17.44 117.39 -164.45 -87.17 138.11 88.72 9.66 1.62 25.26 9.37 55.21 0.46 1.02 0.00 7.11 1.55 24 G C T 65.46 0.65 15.66 14.58 94.89 13.89 76.99 4.99 98.10 1.08 0.82 10.78 20.82 66.55 0.12 0.73 0.00 0.74 0.25 25 T C C 31.66 15.60 7.34 22.26 119.66 130.07 -95.45 141.58 97.44 1.55 1.01 67.05 28.95 1.25 0.50 0.44 0.00 0.52 1.28 26 P C T 88.48 3.84 17.72 22.04 95.71 -120.33 -64.54 -17.39 92.62 0.75 6.63 10.05 12.17 70.66 4.14 2.18 0.00 0.38 0.43 27 L C T 41.82 15.22 11.72 27.04 99.42 54.86 -97.02 25.71 91.52 0.36 8.12 22.77 6.32 62.85 5.65 2.03 0.00 0.17 0.22 28 E H H 90.26 7.64 14.62 23.97 93.28 122.16 -60.83 -40.03 7.53 0.08 92.39 4.92 1.12 1.78 91.23 0.89 0.00 0.03 0.02 29 T H H 87.74 1.74 20.13 20.53 91.78 52.53 -64.33 -39.87 2.58 0.05 97.38 1.21 0.32 1.02 96.79 0.62 0.00 0.02 0.01 30 V H H 29.24 12.12 16.85 30.23 92.08 49.19 -65.64 -41.60 1.17 0.04 98.79 0.51 0.15 0.52 98.19 0.61 0.00 0.02 0.01 31 Q H H 36.19 15.97 14.97 31.10 91.82 52.43 -62.62 -42.03 0.65 0.01 99.34 0.23 0.08 0.28 99.19 0.21 0.00 0.01 0.00 32 E H H 109.35 2.45 21.99 23.47 91.56 49.96 -63.92 -41.20 0.81 0.01 99.18 0.18 0.08 0.46 99.12 0.16 0.00 0.00 0.00 33 K H H 99.80 3.47 20.20 23.61 91.68 50.05 -65.00 -40.74 1.02 0.01 98.98 0.17 0.10 0.65 98.83 0.24 0.00 0.00 0.00 34 L H H 13.73 15.86 12.51 29.60 91.54 50.39 -64.37 -41.41 1.45 0.02 98.53 0.29 0.16 0.90 98.02 0.62 0.00 0.01 0.00 35 A H H 49.28 8.33 14.19 23.78 91.88 52.15 -63.57 -39.40 2.86 0.02 97.12 0.37 0.20 2.15 95.58 1.66 0.01 0.01 0.00 36 A H H 90.37 0.97 15.83 15.86 90.37 54.62 -65.85 -27.59 12.52 0.04 87.43 0.45 0.55 12.13 85.40 1.39 0.04 0.02 0.03 37 R C T 139.84 3.78 13.37 18.46 93.58 51.39 -90.49 2.54 79.92 0.07 20.01 0.48 1.87 77.28 19.03 1.23 0.01 0.03 0.08 38 G C T 56.11 1.74 16.98 18.44 96.87 -105.95 83.21 11.41 99.56 0.03 0.41 1.90 2.13 95.67 0.15 0.11 0.00 0.02 0.01 39 L C C 44.40 15.53 9.33 24.58 111.73 137.61 -90.76 119.29 98.53 0.55 0.92 94.72 2.48 1.48 0.29 0.43 0.00 0.23 0.38 40 R C C 156.92 4.10 18.37 23.18 101.74 175.39 -99.87 -5.05 98.24 0.88 0.88 80.39 15.17 2.49 0.30 0.55 0.00 0.33 0.77 41 D C C 42.13 12.37 14.01 27.58 108.65 106.55 -91.95 111.25 98.89 0.80 0.31 69.81 28.37 0.54 0.16 0.10 0.00 0.19 0.83 42 P H T 70.91 7.55 17.87 26.99 92.12 -158.34 -62.62 -29.81 42.41 0.26 57.33 3.04 4.69 32.44 30.02 29.34 0.10 0.12 0.26 43 W H G 107.36 9.89 19.09 29.23 92.14 58.33 -66.63 -37.29 34.47 0.18 65.35 1.27 2.45 28.75 32.90 34.25 0.12 0.09 0.17 44 G H G 9.95 17.23 16.49 33.88 93.13 49.89 -69.96 -36.16 23.16 0.30 76.54 2.42 2.51 16.01 38.92 39.73 0.10 0.16 0.15 45 R H H 84.76 13.30 19.62 32.52 92.28 54.07 -67.47 -34.13 23.50 0.55 75.94 4.51 3.36 14.00 41.86 35.59 0.11 0.28 0.29 46 N H T 58.48 10.68 21.29 32.30 95.71 50.99 -85.31 -18.91 47.62 1.11 51.26 7.90 7.06 30.43 24.72 28.38 0.17 0.56 0.77 47 E C C 46.53 13.73 20.05 34.04 97.67 58.63 -87.23 0.87 58.32 6.04 35.64 31.51 9.47 17.50 19.67 15.01 0.09 1.97 4.78 48 A H G 19.32 16.44 17.48 34.39 92.88 105.73 -59.55 -41.23 11.70 0.25 88.06 1.87 1.32 7.30 41.98 47.29 0.02 0.17 0.06 49 W H G 91.16 10.56 19.22 30.32 91.63 52.32 -66.51 -32.12 8.73 0.14 91.13 0.89 0.78 6.19 42.83 49.17 0.01 0.10 0.02 50 R H G 97.21 9.44 18.40 28.38 92.94 54.32 -70.54 -32.77 8.95 0.22 90.82 1.47 1.09 5.59 43.69 47.95 0.01 0.16 0.04 51 Y H H 78.99 12.86 15.31 28.33 95.93 52.97 -78.85 -28.42 33.04 2.43 64.53 10.24 8.25 15.41 39.10 24.16 0.44 1.24 1.16 52 M C T 91.50 8.41 14.74 24.00 99.55 56.25 -86.80 3.55 66.91 3.07 30.03 16.68 21.08 29.94 21.10 7.72 0.26 1.25 1.97 53 G C T 49.10 4.28 15.19 20.46 101.63 -90.67 69.97 2.50 83.06 0.92 16.01 18.19 19.51 45.84 6.85 8.52 0.01 0.42 0.66 54 G C T 42.04 5.94 13.91 20.99 105.91 -30.98 78.80 -34.55 82.69 1.57 15.74 28.42 20.75 34.32 4.37 10.45 0.01 0.70 0.97 55 F C C 110.65 8.54 11.97 21.29 100.22 56.17 -85.09 -1.61 79.16 3.24 17.60 39.47 18.56 22.03 5.70 10.83 0.02 1.47 1.92 56 A C C 61.33 7.19 11.97 20.43 106.31 82.50 -84.71 46.48 83.58 2.06 14.36 46.70 19.88 17.41 6.62 7.19 0.01 0.92 1.27 57 N C C 99.31 4.44 12.55 18.35 109.20 92.37 -92.33 109.17 80.88 1.42 17.70 37.21 27.69 16.61 11.73 5.23 0.01 0.52 0.99 58 N C H 118.73 2.95 12.84 17.00 99.65 -120.54 -75.99 -1.98 59.82 1.20 38.98 27.00 18.31 16.00 32.60 4.93 0.05 0.46 0.67 59 V H H 83.70 5.36 12.02 18.81 105.73 82.65 -86.19 5.15 44.34 1.57 54.09 26.84 8.68 10.56 48.62 3.88 0.03 0.75 0.63 60 S H H 53.58 6.59 12.26 20.33 102.80 69.17 -74.69 -39.16 27.10 1.62 71.28 17.71 4.98 6.94 64.76 4.12 0.04 0.93 0.52 61 F H H 126.15 3.92 14.13 19.13 94.45 48.33 -66.75 -37.57 12.33 0.74 86.93 5.26 2.61 6.04 80.37 4.88 0.12 0.49 0.23 62 V H H 81.54 3.39 15.52 19.55 93.09 50.92 -66.53 -40.24 9.52 0.46 90.02 2.86 1.72 5.76 83.29 5.76 0.14 0.32 0.14 63 G H H 25.35 7.52 13.77 23.01 93.64 51.01 -65.78 -39.76 11.90 0.31 87.80 2.28 1.82 8.25 80.23 6.91 0.18 0.19 0.13 64 A H H 48.86 7.60 13.97 22.91 93.22 51.13 -67.26 -37.95 20.93 0.30 78.77 1.86 2.45 16.77 71.41 6.83 0.35 0.15 0.18 65 L H H 101.47 3.55 16.18 20.33 94.57 48.00 -71.53 -34.50 35.82 0.61 63.57 2.66 4.77 28.52 57.24 5.42 0.68 0.27 0.43 66 L H H 89.17 5.22 15.39 21.45 98.20 48.82 -81.32 -22.51 48.02 2.28 49.70 11.80 12.45 25.99 40.91 5.75 0.71 0.93 1.46 67 K C T 104.03 7.10 15.51 23.72 104.41 85.17 -68.40 96.28 62.78 0.85 36.37 5.30 5.78 49.53 33.51 4.73 0.18 0.40 0.57 68 G C H 29.49 9.67 16.07 26.37 97.83 30.20 67.58 -11.85 53.33 0.36 46.31 5.39 4.99 41.67 43.13 4.30 0.10 0.15 0.26 69 F H H 90.16 9.90 15.51 26.14 93.90 85.41 -64.46 -40.28 10.16 0.10 89.74 4.33 1.90 4.52 87.35 1.79 0.01 0.04 0.05 70 K H H 122.65 3.42 19.43 23.00 92.40 51.30 -65.20 -40.79 4.00 0.04 95.96 1.05 0.50 2.39 95.10 0.93 0.01 0.02 0.01 71 W H H 129.82 4.41 19.97 24.60 92.48 48.66 -66.22 -41.15 1.63 0.01 98.36 0.36 0.16 1.00 97.96 0.50 0.00 0.00 0.00 72 G H H 14.22 13.41 16.14 30.55 92.02 51.72 -63.96 -42.37 0.49 0.00 99.51 0.10 0.04 0.26 99.50 0.10 0.00 0.00 0.00 73 F H H 90.40 7.87 20.12 28.32 91.90 50.29 -63.88 -42.35 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 74 A H H 55.09 3.08 21.89 24.39 91.30 49.93 -63.88 -42.07 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 75 A H H 40.93 7.57 20.01 28.39 91.72 50.25 -64.84 -42.02 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 76 F H H 64.84 12.79 19.09 31.83 92.05 50.29 -64.06 -42.23 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 77 V H H 75.11 5.21 21.82 27.13 91.55 50.23 -63.83 -42.47 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 78 V H H 80.93 3.04 22.60 24.96 91.72 48.76 -64.31 -42.32 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 79 A H H 31.07 9.91 18.96 29.89 91.88 49.73 -64.29 -42.57 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 80 V H H 51.73 9.58 19.30 29.40 91.88 49.43 -64.16 -42.32 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 81 G H H 33.92 3.30 20.10 23.31 91.32 50.60 -63.26 -42.47 0.25 0.00 99.75 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 82 A H H 50.63 3.69 18.99 22.98 91.54 50.16 -64.22 -42.04 0.41 0.00 99.58 0.04 0.02 0.30 99.48 0.17 0.00 0.00 0.00 83 E H H 63.00 8.75 15.88 25.82 92.02 50.22 -64.91 -40.89 0.76 0.00 99.23 0.07 0.04 0.57 98.93 0.39 0.00 0.00 0.00 84 Y H H 112.25 5.43 15.91 22.33 92.01 50.71 -65.11 -40.36 1.92 0.01 98.07 0.19 0.12 1.49 97.41 0.78 0.00 0.00 0.00 85 Y H H 141.90 2.01 15.91 17.66 92.37 49.89 -66.48 -38.64 5.57 0.02 94.41 0.51 0.39 4.47 93.49 1.12 0.01 0.01 0.01 86 L H H 97.47 3.15 14.40 18.22 93.83 47.50 -72.19 -31.93 16.36 0.10 83.54 2.08 1.98 12.38 81.66 1.76 0.05 0.04 0.06 87 E H H 96.14 5.81 12.02 19.22 97.35 52.61 -80.76 -20.65 37.38 0.64 61.98 12.26 8.62 18.18 56.98 3.25 0.08 0.24 0.38 88 S H H 62.46 4.11 11.75 17.38 98.06 77.52 -70.61 -31.38 49.28 1.10 49.62 26.58 8.22 15.65 39.66 8.77 0.03 0.53 0.57 89 Q C H 119.04 2.79 12.31 16.05 97.76 58.57 -77.42 -16.17 56.36 1.31 42.34 29.68 9.46 18.00 31.19 10.33 0.02 0.62 0.70 90 K C C 114.88 4.78 9.83 16.19 102.51 69.50 -84.48 11.92 64.26 1.29 34.46 40.25 10.19 13.82 24.53 9.86 0.01 0.59 0.74 91 K C C 128.75 3.61 10.01 15.17 101.51 90.81 -78.21 -12.54 65.48 1.24 33.28 34.60 10.77 20.63 21.29 11.37 0.02 0.57 0.77 92 D C C 105.15 2.49 9.61 13.34 101.42 62.88 -83.67 6.67 67.58 1.05 31.37 29.31 12.59 26.53 17.02 13.37 0.02 0.46 0.69 93 K C C 135.19 3.11 8.75 13.46 102.23 92.29 -83.07 4.94 68.83 1.40 29.78 32.02 16.28 21.21 13.68 15.29 0.02 0.60 0.90 94 K C C 144.61 2.35 8.69 12.50 104.58 75.02 -84.84 34.06 76.15 1.99 21.85 39.08 16.60 21.14 8.67 12.46 0.01 0.94 1.10 95 H C C 136.05 2.96 7.87 12.51 106.02 82.21 -89.88 53.62 84.91 1.76 13.34 66.52 4.70 14.85 5.06 6.92 0.00 0.99 0.96 96 H C C 125.46 4.51 9.87 16.00 106.55 118.83 -90.97 65.64 99.52 0.21 0.27 98.90 0.35 0.42 0.09 0.08 0.00 0.10 0.05