# 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 E C C 122.89 4.96 12.27 18.91 114.86 -158.92 -95.18 131.17 99.83 0.13 0.04 99.56 0.21 0.13 0.02 0.00 0.00 0.05 0.03 1 H C C 129.30 4.52 9.09 15.44 111.95 -164.83 -98.18 121.70 93.07 2.42 4.52 83.22 2.11 8.20 1.38 2.49 0.00 1.22 1.38 2 G C C 50.95 3.35 9.59 14.53 111.72 3.48 -88.22 159.37 90.57 2.77 6.66 48.16 21.79 20.65 1.20 5.52 0.00 1.35 1.33 3 H C C 134.82 3.69 8.51 13.78 108.81 -26.10 -89.40 108.35 86.30 2.26 11.44 41.05 24.51 20.82 2.13 9.27 0.00 1.03 1.19 4 S C C 81.67 2.91 9.39 13.97 105.23 -132.72 -84.96 38.65 86.41 1.80 11.79 42.69 25.18 18.22 1.99 10.15 0.00 0.87 0.90 5 K C C 153.05 2.12 11.33 14.62 102.54 52.27 -85.45 10.65 87.57 2.96 9.47 55.02 20.18 11.89 1.81 8.22 0.00 1.71 1.17 6 M C C 85.86 10.08 8.24 18.90 115.36 114.56 -93.81 130.24 87.26 9.06 3.68 73.76 9.77 3.21 0.89 3.01 0.00 6.38 2.99 7 E C C 137.23 2.36 16.67 19.81 116.96 -151.50 -98.35 133.93 82.29 16.40 1.31 76.07 5.21 0.99 0.47 0.86 0.00 8.74 7.65 8 L C C 73.78 14.36 11.69 25.82 115.82 -119.89 -83.35 135.07 96.98 2.94 0.08 93.07 4.15 0.13 0.03 0.04 0.00 1.94 0.64 9 P C C 36.78 13.74 11.90 26.54 115.50 -107.62 -65.56 150.75 99.24 0.66 0.10 95.67 3.45 0.26 0.03 0.04 0.00 0.29 0.26 10 D C C 84.61 3.56 17.93 21.95 108.11 -113.75 -82.60 117.52 99.17 0.59 0.23 98.06 0.98 0.20 0.07 0.07 0.00 0.16 0.45 11 Y H G 93.12 14.15 9.08 23.25 92.79 -157.88 -66.21 -21.27 36.03 0.41 63.56 6.02 3.95 24.32 3.65 61.68 0.00 0.26 0.13 12 K H G 158.46 1.45 14.21 16.10 91.24 67.19 -69.82 -20.05 35.51 0.39 64.10 2.59 3.77 27.48 3.47 62.30 0.00 0.23 0.14 13 Q H G 115.65 3.01 13.71 17.63 96.37 56.63 -83.44 -18.54 32.20 1.18 66.62 5.45 6.33 20.43 3.09 63.65 0.01 0.76 0.27 14 W C C 77.13 14.29 9.17 23.20 122.30 61.82 -113.64 136.08 80.76 8.25 10.99 59.44 16.91 4.46 3.29 7.74 0.01 4.94 3.20 15 K C C 138.99 2.97 17.37 21.55 118.29 -163.66 -112.82 129.99 84.59 13.55 1.85 79.96 3.44 1.31 0.73 0.97 0.00 9.84 3.74 16 I C C 50.31 16.34 8.89 24.48 113.11 -160.04 -103.90 118.16 77.69 20.40 1.91 73.52 2.45 1.24 0.89 0.95 0.00 14.56 6.39 17 E C T 141.57 2.04 13.90 17.18 117.23 -167.35 -89.46 138.18 87.60 10.83 1.57 33.14 9.84 45.81 0.48 0.94 0.00 8.08 1.71 18 G C T 65.00 0.71 15.54 14.74 95.77 13.57 76.54 6.95 97.76 1.45 0.79 14.25 26.25 57.41 0.12 0.67 0.00 0.97 0.33 19 T C C 31.96 15.64 7.40 22.33 119.44 134.48 -93.38 141.14 97.00 1.48 1.52 68.65 26.50 1.67 0.81 0.63 0.00 0.53 1.20 20 P C T 85.35 4.24 17.54 22.49 94.04 -121.04 -63.92 -20.71 89.86 0.72 9.42 12.68 12.94 64.56 6.15 2.89 0.01 0.35 0.43 21 L C T 38.47 15.76 11.64 27.45 98.59 55.04 -96.95 21.54 87.47 0.46 12.06 24.98 6.43 56.40 8.96 2.73 0.00 0.22 0.28 22 E H H 90.88 7.49 14.89 24.07 93.29 121.19 -60.48 -40.51 8.76 0.09 91.14 5.78 1.29 1.97 89.88 1.00 0.00 0.04 0.03 23 T H H 87.18 1.79 20.13 20.61 91.82 51.94 -64.52 -39.83 3.31 0.07 96.62 1.72 0.42 1.19 95.91 0.71 0.00 0.04 0.01 24 V H H 27.44 12.44 16.65 30.34 92.08 49.11 -65.61 -41.66 1.68 0.06 98.26 0.84 0.22 0.67 97.52 0.71 0.00 0.04 0.01 25 Q H H 37.09 15.76 15.00 30.94 91.75 52.57 -62.67 -42.10 0.95 0.02 99.03 0.41 0.11 0.38 98.78 0.29 0.00 0.01 0.00 26 E H H 110.38 2.26 21.89 23.04 91.53 50.21 -63.94 -41.02 1.16 0.02 98.83 0.35 0.12 0.60 98.68 0.22 0.00 0.01 0.00 27 K H H 98.80 3.58 19.91 23.49 91.68 50.06 -65.10 -40.79 1.43 0.02 98.56 0.32 0.16 0.86 98.34 0.30 0.00 0.01 0.00 28 L H H 14.31 15.60 12.24 29.09 91.50 50.40 -64.39 -41.25 1.88 0.03 98.09 0.46 0.23 1.11 97.49 0.69 0.00 0.01 0.01 29 A H H 51.66 7.66 14.14 23.12 91.87 52.10 -63.63 -39.44 3.35 0.02 96.63 0.53 0.26 2.40 94.52 2.26 0.01 0.01 0.01 30 A H H 90.64 0.93 15.54 15.49 90.49 54.07 -66.00 -28.20 12.47 0.05 87.48 0.57 0.63 11.70 85.21 1.80 0.04 0.02 0.03 31 R C T 141.51 3.56 13.04 17.91 93.76 51.07 -90.58 2.36 77.39 0.07 22.54 0.57 1.99 74.56 21.30 1.47 0.01 0.03 0.08 32 G C T 57.92 1.44 16.47 17.36 96.34 -107.34 80.95 12.87 99.53 0.03 0.44 2.23 2.22 95.23 0.17 0.12 0.00 0.02 0.01 33 L C C 47.42 14.90 8.93 23.61 111.49 138.51 -92.14 118.82 98.65 0.48 0.87 94.66 2.60 1.52 0.28 0.40 0.00 0.19 0.34 34 R C C 163.38 3.26 17.79 21.81 101.59 172.13 -99.75 -6.52 98.48 0.78 0.74 80.67 15.28 2.36 0.26 0.45 0.00 0.28 0.71 35 D C C 44.82 11.46 13.09 25.93 108.75 106.96 -90.74 112.62 99.04 0.69 0.27 71.02 27.38 0.49 0.15 0.09 0.00 0.16 0.72 36 P H H 77.32 6.19 16.92 24.78 91.93 -157.74 -62.58 -29.85 38.06 0.23 61.71 3.24 4.58 27.89 36.23 27.63 0.11 0.11 0.21 37 W H H 119.91 7.61 18.50 26.75 92.15 57.83 -66.26 -37.68 28.23 0.14 71.63 1.15 2.04 22.81 39.63 34.06 0.12 0.07 0.12 38 G H H 10.24 16.61 15.43 32.35 92.94 49.62 -68.41 -36.60 18.73 0.20 81.07 1.79 1.91 12.83 45.17 38.03 0.08 0.10 0.10 39 R H H 87.23 12.78 18.28 30.92 92.44 52.74 -68.51 -33.88 20.51 0.43 79.07 3.66 2.83 12.34 46.19 34.45 0.10 0.21 0.22 40 N C T 70.64 8.45 20.68 29.53 96.26 51.29 -85.70 -16.70 49.64 1.05 49.31 8.31 7.35 32.07 24.23 26.63 0.15 0.51 0.76 41 E C C 54.55 12.12 18.70 31.43 100.40 64.36 -89.65 31.79 65.14 5.51 29.34 36.44 11.60 17.22 15.26 12.95 0.04 1.50 4.98 42 A H G 23.26 15.64 16.32 32.47 93.24 123.48 -60.09 -39.50 12.69 0.22 87.09 2.13 1.52 8.32 28.61 59.22 0.01 0.14 0.06 43 W H G 102.89 10.03 18.36 29.03 91.73 53.75 -66.65 -30.33 10.13 0.12 89.75 1.04 0.94 7.61 28.88 61.42 0.00 0.08 0.03 44 R H G 106.33 8.41 17.96 27.03 93.35 56.23 -73.35 -25.58 11.05 0.26 88.68 2.00 1.48 7.12 29.15 60.02 0.01 0.18 0.06 45 Y H H 84.75 12.17 14.14 26.70 97.18 60.48 -82.43 -21.14 44.99 4.50 50.51 17.75 13.46 15.96 25.08 22.81 0.39 2.05 2.50 46 S C S 57.16 8.14 13.76 22.87 101.04 61.76 -89.62 8.38 77.67 4.16 18.17 26.97 27.52 24.11 10.74 6.37 0.08 1.66 2.56 47 G C T 52.12 3.38 14.52 19.01 101.20 -102.28 74.07 3.54 86.49 1.13 12.38 20.96 25.00 41.14 3.50 8.13 0.00 0.52 0.74 48 G C T 44.35 5.23 13.52 19.94 103.65 -15.11 60.59 -32.10 83.30 1.55 15.15 25.98 23.17 34.86 3.78 10.54 0.01 0.69 0.97 49 F C C 113.01 8.17 11.35 20.32 101.26 60.41 -85.43 -0.23 78.07 3.14 18.80 36.76 19.15 23.21 5.87 11.71 0.02 1.41 1.88 50 A C C 62.56 6.79 11.90 20.04 104.78 84.42 -83.23 11.41 81.31 2.07 16.62 43.80 20.14 17.87 7.68 8.31 0.01 0.91 1.28 51 N C C 100.99 4.22 12.85 18.46 109.76 81.65 -93.57 110.49 80.76 1.58 17.66 41.19 25.12 14.99 11.52 5.49 0.01 0.59 1.08 52 N C C 111.19 4.17 12.60 18.15 100.59 -125.85 -77.55 13.26 61.48 1.28 37.24 33.24 15.89 13.22 31.66 4.77 0.02 0.50 0.69 53 V H H 83.17 5.65 12.30 19.34 104.47 95.78 -87.30 3.97 43.56 1.48 54.96 27.23 7.92 9.85 49.74 3.94 0.02 0.73 0.58 54 S H H 54.91 6.31 12.73 20.51 99.24 79.18 -71.45 -35.97 26.20 1.59 72.21 16.59 4.86 7.16 65.48 4.43 0.05 0.95 0.49 55 F H H 119.36 4.29 14.16 19.52 94.19 53.72 -66.74 -38.32 11.98 0.78 87.24 5.20 2.49 5.78 80.22 5.44 0.10 0.54 0.23 56 V H H 76.68 4.34 14.87 20.36 93.23 51.31 -66.23 -39.90 9.32 0.46 90.22 2.69 1.64 5.73 82.59 6.75 0.14 0.33 0.14 57 G H H 28.04 7.54 13.54 22.72 93.44 51.15 -66.44 -37.60 12.80 0.29 86.91 2.10 1.79 9.24 78.92 7.46 0.19 0.18 0.12 58 A H H 55.38 6.36 14.07 21.74 93.67 50.92 -69.75 -34.45 24.05 0.30 75.65 1.87 2.73 19.58 68.33 6.79 0.37 0.15 0.19 59 L H H 103.83 3.59 15.58 19.76 95.99 45.92 -76.19 -30.82 42.09 0.82 57.08 3.35 6.17 32.65 51.26 4.94 0.68 0.35 0.59 60 L C H 85.24 6.51 14.19 21.83 100.27 47.71 -90.65 -9.25 60.88 4.02 35.10 20.71 19.78 22.02 27.97 4.98 0.50 1.54 2.49 61 K C T 110.79 6.72 15.06 23.09 109.68 85.30 -69.62 132.15 72.77 1.47 25.76 8.39 7.58 55.02 22.52 4.74 0.14 0.73 0.89 62 G C T 32.80 9.14 16.12 25.94 97.87 19.04 82.52 -4.04 67.52 0.52 31.96 7.72 6.55 51.74 28.72 4.62 0.06 0.24 0.36 63 F H H 89.27 10.30 14.73 25.86 94.56 102.88 -64.65 -39.36 17.16 0.25 82.59 8.92 3.43 6.32 78.56 2.51 0.02 0.10 0.14 64 K H H 128.65 3.04 19.29 22.61 92.55 51.15 -65.16 -39.98 6.52 0.07 93.40 1.92 0.95 3.75 92.10 1.21 0.01 0.04 0.03 65 W H H 126.27 5.30 19.59 25.33 92.63 48.74 -66.58 -40.68 2.65 0.03 97.32 0.66 0.31 1.60 96.70 0.71 0.01 0.01 0.01 66 G H H 12.19 14.93 16.01 31.68 91.95 52.39 -63.72 -42.27 0.79 0.00 99.21 0.19 0.07 0.41 99.14 0.18 0.00 0.00 0.00 67 F H H 91.95 7.60 20.73 28.76 91.95 50.71 -64.18 -42.22 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 68 A H H 53.16 3.58 22.39 25.68 91.35 50.54 -63.94 -42.15 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 69 A H H 34.72 9.83 19.95 30.62 91.67 50.54 -64.60 -42.06 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 70 F H H 62.53 13.65 19.81 33.32 91.94 50.15 -63.83 -42.23 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 71 V H H 75.58 5.07 23.01 28.18 91.78 49.98 -64.15 -42.50 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 72 V H H 75.58 4.19 23.10 27.18 91.75 48.74 -64.27 -42.40 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 73 A H H 26.06 12.09 19.28 32.24 91.70 49.98 -63.81 -42.53 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 74 V H H 53.41 8.80 20.55 30.01 91.69 49.29 -63.95 -42.64 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 75 G H H 32.76 3.36 20.62 23.94 91.34 50.41 -63.18 -42.56 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 76 A H H 44.60 4.96 18.59 24.56 91.65 50.37 -64.29 -42.25 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 77 E H H 63.62 8.80 16.15 26.18 91.89 50.41 -64.62 -41.03 0.34 0.00 99.66 0.03 0.01 0.24 99.62 0.10 0.00 0.00 0.00 78 Y H H 117.07 3.66 16.24 20.68 91.78 49.85 -64.77 -41.17 0.75 0.00 99.25 0.06 0.04 0.56 99.11 0.22 0.00 0.00 0.00 79 Y H H 132.10 2.09 14.94 17.14 92.25 50.12 -65.13 -40.81 2.04 0.01 97.95 0.21 0.14 1.52 97.60 0.53 0.00 0.00 0.00 80 L H H 92.44 3.74 12.38 17.49 93.00 49.65 -67.09 -37.23 6.59 0.02 93.40 0.70 0.57 4.99 92.61 1.10 0.01 0.01 0.01 81 E H H 123.19 3.08 11.05 15.51 93.91 51.85 -72.28 -26.02 22.67 0.11 77.22 3.18 2.64 16.46 76.32 1.27 0.02 0.03 0.07 82 S C H 81.57 1.98 9.76 12.83 97.53 59.62 -81.47 -9.41 58.57 0.24 41.19 26.13 2.24 28.19 41.75 1.43 0.00 0.09 0.16 83 Q C C 129.51 2.73 10.46 14.90 103.87 90.30 -80.95 45.57 99.88 0.04 0.07 99.58 0.17 0.17 0.05 0.01 0.00 0.02 0.01