# 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 M C C 117.88 4.44 10.45 16.46 110.43 -152.85 -86.78 122.31 99.84 0.04 0.12 99.75 0.08 0.08 0.07 0.00 0.00 0.01 0.01 1 L C C 116.36 2.66 8.87 13.06 108.95 -146.38 -83.37 125.85 72.39 0.83 26.79 67.81 0.99 3.59 25.67 1.23 0.00 0.33 0.37 2 T H H 89.40 2.35 8.76 12.46 109.14 -127.79 -85.12 127.02 45.71 1.21 53.07 32.34 6.67 7.24 49.89 2.80 0.01 0.55 0.51 3 V H H 107.61 1.81 9.33 12.09 96.10 -105.69 -69.23 -35.49 22.71 1.05 76.25 12.88 4.55 7.40 70.43 3.72 0.03 0.59 0.38 4 L H H 107.12 1.98 10.16 13.04 94.79 54.39 -68.06 -37.06 16.31 0.64 83.05 8.47 3.24 6.22 77.49 3.93 0.04 0.37 0.24 5 G H H 36.10 3.36 10.41 15.40 94.61 53.13 -65.84 -39.02 13.49 0.36 86.16 7.03 2.55 5.18 81.44 3.43 0.03 0.20 0.14 6 R H H 143.75 1.94 11.59 14.17 93.79 52.23 -67.78 -38.31 9.03 0.27 90.70 3.00 1.66 5.09 85.89 4.01 0.08 0.16 0.10 7 L H H 106.16 1.90 11.56 14.07 93.56 50.72 -68.16 -37.78 9.83 0.32 89.85 2.62 1.60 6.19 84.88 4.30 0.09 0.20 0.11 8 L H H 102.61 2.70 10.82 14.69 96.69 49.30 -76.35 -26.45 17.35 0.48 82.17 4.95 2.98 10.48 76.17 4.84 0.10 0.27 0.22 9 E H H 124.62 2.55 11.55 15.20 97.80 65.05 -74.05 -26.28 34.56 0.67 64.77 8.18 5.81 21.82 59.28 4.13 0.11 0.32 0.35 10 R C H 147.10 2.71 11.57 15.37 105.88 51.73 -91.06 50.28 51.57 0.94 47.49 15.45 11.59 25.51 42.86 3.60 0.08 0.38 0.54 11 N H H 88.83 4.47 10.68 16.73 102.87 132.53 -77.39 -9.38 44.42 0.84 54.74 29.57 7.47 7.42 52.52 2.29 0.01 0.32 0.41 12 S H H 73.93 2.36 12.34 15.42 94.94 60.17 -66.69 -32.03 16.39 0.24 83.37 6.30 2.88 7.57 80.69 2.31 0.02 0.11 0.10 13 I H H 100.52 2.41 13.18 16.10 93.43 53.56 -67.08 -39.62 6.67 0.15 93.18 2.50 0.97 3.17 91.67 1.54 0.01 0.08 0.04 14 Y H H 118.72 3.74 12.87 17.93 92.75 51.24 -66.18 -40.19 2.74 0.06 97.20 1.14 0.35 1.20 96.21 1.05 0.00 0.03 0.01 15 V H H 83.38 2.92 13.86 17.58 92.27 50.81 -65.09 -41.31 1.20 0.02 98.78 0.43 0.12 0.55 98.47 0.42 0.00 0.01 0.00 16 A H H 62.36 2.05 14.74 16.87 92.13 50.54 -64.78 -40.67 0.92 0.01 99.07 0.20 0.07 0.53 98.86 0.34 0.00 0.00 0.00 17 T H H 77.10 2.16 14.94 17.22 92.46 49.08 -65.75 -41.24 1.32 0.01 98.66 0.17 0.10 0.95 98.44 0.33 0.00 0.00 0.00 18 I H H 91.30 3.10 14.64 18.48 92.42 48.90 -65.02 -42.39 1.50 0.01 98.49 0.17 0.12 1.09 98.40 0.20 0.00 0.01 0.01 19 F H H 114.98 2.55 15.52 18.39 92.16 48.57 -64.99 -41.88 1.20 0.01 98.79 0.19 0.11 0.75 98.78 0.15 0.00 0.00 0.00 20 G H H 38.26 2.02 16.00 17.80 91.84 50.37 -63.85 -41.85 0.72 0.00 99.28 0.09 0.04 0.45 99.29 0.12 0.00 0.00 0.00 21 G H H 36.21 2.30 15.73 18.17 92.12 50.22 -64.08 -41.23 0.53 0.00 99.47 0.06 0.03 0.33 99.48 0.10 0.00 0.00 0.00 22 A H H 51.68 3.23 14.72 18.95 91.97 50.69 -63.90 -41.42 0.33 0.00 99.67 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 23 F H H 120.37 2.16 15.73 17.84 91.89 49.98 -64.70 -41.08 0.30 0.00 99.70 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 24 A H H 65.36 1.53 15.91 16.58 91.78 50.14 -63.65 -41.80 0.45 0.00 99.55 0.05 0.02 0.30 99.56 0.07 0.00 0.00 0.00 25 F H H 121.02 1.81 15.61 17.01 92.10 49.11 -65.09 -40.96 0.76 0.00 99.24 0.07 0.04 0.55 99.22 0.12 0.00 0.00 0.00 26 Q H H 95.87 2.93 14.73 18.42 92.00 51.09 -64.32 -40.57 1.10 0.00 98.90 0.10 0.06 0.82 98.87 0.16 0.00 0.00 0.00 27 G H H 37.67 2.38 14.98 17.74 91.88 51.34 -63.67 -41.19 1.88 0.00 98.11 0.17 0.12 1.43 98.04 0.23 0.00 0.00 0.00 28 F H H 124.93 1.46 15.90 16.39 91.92 50.02 -64.65 -41.23 1.47 0.00 98.53 0.18 0.11 1.01 98.45 0.24 0.00 0.00 0.00 29 F H H 117.00 2.08 15.42 17.41 92.24 49.07 -65.00 -41.43 0.82 0.00 99.18 0.15 0.07 0.48 99.14 0.16 0.00 0.00 0.00 30 D H H 76.36 2.95 14.62 18.40 91.99 50.53 -64.39 -41.25 0.84 0.00 99.16 0.16 0.06 0.50 99.15 0.13 0.00 0.00 0.00 31 V H H 83.97 2.04 15.73 17.58 91.93 49.84 -64.75 -41.30 0.80 0.00 99.20 0.10 0.06 0.54 99.18 0.13 0.00 0.00 0.00 32 A H H 58.41 1.91 16.10 17.54 92.05 50.00 -64.22 -41.46 0.93 0.00 99.07 0.13 0.06 0.60 99.07 0.15 0.00 0.00 0.00 33 V H H 76.98 2.36 15.29 17.91 91.89 49.13 -64.59 -41.31 1.37 0.00 98.62 0.17 0.09 0.92 98.64 0.17 0.00 0.00 0.00 34 N H H 77.58 3.16 14.42 18.62 91.83 50.69 -64.50 -40.54 1.57 0.00 98.43 0.25 0.12 0.98 98.46 0.19 0.00 0.00 0.00 35 K H H 116.70 1.82 15.31 16.91 91.95 51.03 -64.53 -41.35 1.49 0.00 98.50 0.17 0.10 1.05 98.43 0.25 0.00 0.00 0.00 36 W H H 144.87 1.52 15.12 15.93 91.84 49.28 -64.07 -42.27 0.98 0.00 99.02 0.11 0.07 0.69 98.88 0.24 0.00 0.00 0.00 37 W H H 130.24 2.54 13.56 16.89 92.21 48.82 -64.62 -41.60 0.78 0.00 99.22 0.11 0.06 0.50 99.06 0.27 0.00 0.00 0.00 38 E H H 94.13 3.50 12.43 17.40 91.99 50.70 -65.13 -39.83 1.28 0.00 98.71 0.15 0.08 0.90 98.43 0.44 0.00 0.00 0.00 39 E H H 127.46 1.18 13.93 14.33 92.52 49.36 -67.17 -38.90 3.04 0.00 96.96 0.22 0.18 2.44 96.37 0.78 0.00 0.00 0.00 40 H H H 130.81 1.39 13.27 14.17 94.74 45.38 -73.70 -33.12 10.81 0.02 89.18 0.50 0.69 9.52 88.24 1.02 0.01 0.00 0.01 41 N H H 77.18 4.85 9.91 16.65 100.38 40.36 -101.34 4.04 49.75 0.27 49.98 8.45 4.87 35.77 48.36 2.25 0.02 0.09 0.19 42 K H H 125.90 3.58 10.74 16.11 95.33 112.19 -63.80 -34.09 46.39 0.48 53.13 9.05 5.56 30.21 35.30 19.24 0.07 0.22 0.36 43 A H H 80.68 1.55 12.83 14.37 94.44 45.48 -64.15 -21.67 43.49 0.29 56.23 6.67 5.18 29.52 31.41 26.84 0.05 0.14 0.20 44 K H H 126.21 2.34 12.19 15.25 97.82 61.67 -81.19 -15.73 40.81 0.58 58.61 13.14 6.79 19.97 31.99 27.47 0.04 0.28 0.33 45 L H H 82.90 4.83 10.69 17.25 96.85 67.23 -70.42 -32.03 44.77 1.09 54.14 21.28 8.59 15.64 35.51 17.82 0.03 0.50 0.63 46 W H H 143.24 3.98 10.83 16.36 94.65 58.73 -67.85 -31.84 25.34 0.63 74.03 11.99 4.26 9.04 51.45 22.64 0.02 0.34 0.26 47 K H H 144.88 1.35 12.87 14.26 93.77 60.42 -66.75 -35.17 16.36 0.22 83.42 3.48 2.05 9.31 57.90 27.01 0.03 0.13 0.08 48 N H H 109.33 1.66 12.11 14.06 95.18 51.69 -75.05 -22.52 20.16 0.20 79.64 3.18 2.30 12.77 55.24 26.26 0.05 0.11 0.10 49 V H H 75.15 5.02 9.77 16.53 99.40 47.73 -91.70 -12.45 28.55 0.55 70.89 8.19 5.18 15.42 52.31 18.20 0.10 0.25 0.34 50 K H H 120.23 3.92 10.65 16.45 94.99 90.82 -62.99 -38.86 16.81 0.27 82.92 4.13 2.11 9.45 58.31 25.70 0.04 0.15 0.11 51 G H H 50.15 1.73 12.06 14.25 93.38 51.14 -65.16 -31.39 16.13 0.13 83.74 2.75 1.56 10.10 56.53 28.92 0.02 0.07 0.05 52 K H H 140.51 1.82 12.18 14.58 94.78 56.97 -72.31 -30.31 16.42 0.29 83.29 4.26 2.27 8.60 56.71 27.86 0.03 0.17 0.11 53 F H H 124.50 4.20 10.05 15.77 99.91 51.05 -83.63 -15.13 31.61 2.39 66.00 14.69 7.26 11.97 51.26 12.37 0.16 1.22 1.06 54 L C C 101.41 4.11 9.36 15.20 105.04 74.29 -87.10 43.94 57.18 4.05 38.77 38.38 9.38 9.91 34.90 3.68 0.02 1.83 1.89 55 E C C 141.66 1.84 10.39 13.52 109.14 106.77 -85.23 113.64 67.04 1.82 31.13 39.63 10.48 15.49 29.73 3.03 0.01 0.87 0.77 56 G C C 53.17 2.10 11.06 14.17 108.66 14.68 83.70 -4.64 73.75 0.86 25.38 32.57 18.04 23.30 20.83 4.41 0.01 0.34 0.50 57 E C C 136.87 2.46 9.98 13.79 106.00 54.83 -80.65 87.04 68.66 0.60 30.74 29.31 17.62 22.33 23.83 6.27 0.01 0.23 0.40 58 G C C 46.47 3.19 10.16 14.76 106.94 42.08 -45.76 -28.55 63.74 0.73 35.53 30.85 14.84 18.81 26.70 8.02 0.01 0.29 0.48 59 E H H 123.26 2.79 9.38 13.55 100.35 68.61 -77.38 -21.53 48.69 0.83 50.48 29.28 9.77 10.61 39.68 9.87 0.01 0.37 0.41 60 E H H 126.87 2.24 9.23 12.63 101.57 67.72 -77.28 -17.61 41.20 0.96 57.85 26.03 7.05 9.23 45.35 11.43 0.01 0.48 0.42 61 E H H 130.43 2.34 8.25 12.02 98.48 67.71 -75.19 -18.93 38.05 0.89 61.06 22.66 6.54 9.70 46.65 13.59 0.02 0.45 0.40 62 D H H 113.43 1.63 7.97 10.82 98.95 65.28 -79.04 -12.61 45.67 0.93 53.40 25.14 7.35 13.98 40.75 11.84 0.02 0.46 0.47 63 D C C 115.77 1.50 7.73 10.43 102.37 69.60 -84.57 9.38 65.49 0.63 33.89 47.72 2.37 16.54 26.13 6.53 0.00 0.30 0.39 64 E C C 136.65 2.54 9.29 13.42 107.58 103.84 -83.58 104.49 99.72 0.02 0.26 99.48 0.13 0.18 0.19 0.01 0.00 0.01 0.00