# 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 105.53 5.26 11.90 18.43 110.76 -146.16 -88.62 122.77 99.84 0.08 0.08 99.79 0.07 0.05 0.04 0.00 0.00 0.03 0.02 1 A C C 70.33 2.91 10.43 14.57 100.28 133.61 -72.65 -29.79 55.60 0.83 43.57 47.73 1.16 6.13 42.49 1.75 0.00 0.37 0.37 2 S H H 73.32 2.11 9.88 13.00 97.01 61.36 -68.24 -37.38 38.15 0.49 61.36 21.85 5.26 10.87 59.44 2.15 0.01 0.21 0.22 3 N H H 107.26 1.50 10.96 12.87 94.19 53.15 -67.60 -36.90 20.19 0.26 79.55 11.80 3.15 5.88 77.00 1.94 0.00 0.11 0.10 4 L H H 99.58 1.94 11.71 14.24 93.09 52.47 -66.33 -39.72 4.89 0.07 95.05 2.79 0.81 1.59 93.78 0.98 0.00 0.03 0.02 5 V H H 76.79 3.29 12.13 16.80 92.60 51.05 -65.54 -40.76 1.75 0.02 98.23 0.91 0.25 0.64 97.70 0.47 0.00 0.01 0.00 6 E H H 112.50 2.17 13.92 16.45 92.20 50.95 -65.12 -40.54 1.16 0.02 98.83 0.52 0.14 0.49 98.51 0.32 0.00 0.01 0.00 7 M H H 110.92 1.73 14.86 16.29 92.30 49.88 -65.25 -41.19 0.88 0.01 99.11 0.30 0.09 0.43 98.94 0.23 0.00 0.00 0.00 8 F H H 107.99 3.34 14.69 18.89 92.38 49.28 -65.28 -41.31 0.75 0.01 99.25 0.23 0.07 0.38 99.17 0.15 0.00 0.00 0.00 9 N H H 82.00 3.91 15.22 20.14 92.21 50.18 -64.77 -40.83 0.64 0.00 99.36 0.17 0.06 0.31 99.36 0.10 0.00 0.00 0.00 10 A H H 57.22 2.34 16.34 18.59 92.02 50.57 -64.08 -41.30 0.85 0.00 99.14 0.13 0.05 0.53 99.13 0.15 0.00 0.00 0.00 11 A H H 52.57 3.25 16.12 20.03 92.00 50.45 -64.65 -41.12 1.21 0.00 98.79 0.16 0.08 0.79 98.76 0.21 0.00 0.00 0.00 12 L H H 76.24 5.39 15.24 21.87 92.13 50.55 -65.16 -40.71 1.28 0.00 98.72 0.20 0.10 0.78 98.71 0.21 0.00 0.00 0.00 13 N H H 86.92 3.15 16.47 20.10 92.11 51.01 -65.05 -40.10 2.21 0.01 97.78 0.35 0.15 1.47 97.74 0.29 0.00 0.00 0.00 14 W H H 149.84 1.93 16.91 18.28 92.26 50.42 -65.32 -40.98 1.66 0.00 98.34 0.22 0.12 1.14 98.13 0.39 0.00 0.00 0.00 15 V H H 65.97 5.31 15.18 21.79 92.39 49.08 -65.79 -41.43 1.52 0.01 98.47 0.30 0.14 0.93 98.09 0.53 0.00 0.00 0.00 16 T H H 61.26 5.56 14.66 21.58 92.20 50.77 -64.78 -40.51 2.14 0.02 97.84 0.37 0.18 1.44 96.77 1.21 0.01 0.01 0.00 17 M H H 107.82 2.09 16.14 18.06 92.31 51.15 -65.16 -40.16 2.82 0.02 97.16 0.31 0.21 2.09 94.46 2.90 0.01 0.01 0.01 18 I H H 92.09 3.34 15.18 19.28 92.64 49.64 -66.52 -40.07 5.10 0.03 94.87 0.46 0.37 4.01 91.09 4.03 0.02 0.02 0.01 19 L H H 79.26 7.29 13.07 21.66 93.39 51.37 -70.73 -31.10 22.51 0.12 77.37 1.91 1.80 18.51 74.06 3.53 0.06 0.05 0.08 20 E C T 122.92 3.65 14.57 19.18 95.92 54.76 -85.38 -7.09 63.09 0.23 36.68 6.92 5.81 48.51 35.52 2.98 0.01 0.09 0.17 21 S C S 46.92 5.91 10.72 18.83 113.84 104.34 -77.65 146.38 95.92 0.47 3.61 40.29 53.05 2.39 2.96 0.74 0.00 0.12 0.45 22 P C T 97.26 2.69 13.48 17.01 94.99 -109.91 -63.20 -30.27 62.47 0.35 37.18 13.66 9.99 38.41 22.15 15.34 0.02 0.15 0.28 23 S C T 68.38 3.61 12.96 17.75 94.67 57.46 -70.17 -26.73 54.25 0.76 45.00 13.28 6.75 32.99 28.07 18.00 0.04 0.40 0.47 24 A H H 45.36 7.25 11.24 20.31 93.97 62.57 -67.46 -31.97 41.87 1.89 56.24 20.47 7.68 12.99 34.77 22.29 0.04 1.06 0.69 25 R H H 134.57 4.29 13.70 19.29 94.73 59.70 -71.28 -26.93 38.71 5.76 55.53 19.92 6.87 12.13 38.32 17.07 0.17 4.29 1.24 26 V H H 79.01 4.51 11.83 17.90 96.08 67.66 -71.85 -33.41 27.84 15.40 56.75 17.50 5.66 6.39 42.30 12.94 0.14 13.29 1.78 27 V H H 95.54 3.49 11.81 16.69 96.00 57.82 -72.69 -34.79 23.81 20.53 55.66 13.90 4.49 6.49 41.53 13.00 0.17 18.66 1.76 28 L H H 113.92 3.45 11.12 15.72 98.07 53.75 -77.35 -26.01 27.44 20.56 52.00 12.36 5.64 10.74 37.76 13.29 0.44 17.53 2.23 29 F C H 144.19 2.88 11.20 15.21 100.05 39.59 -91.65 2.66 50.13 9.43 40.44 12.71 9.15 27.32 28.61 12.13 0.77 7.28 2.02 30 G C T 55.00 2.42 12.69 16.23 101.66 -110.24 80.18 11.33 89.39 6.32 4.30 31.11 16.25 42.88 2.14 1.78 0.00 5.00 0.84 31 V C C 67.63 7.47 8.89 18.18 117.33 136.48 -95.98 133.05 83.17 15.56 1.27 66.49 15.17 1.36 0.94 0.52 0.00 11.60 3.92 32 P C C 77.06 3.19 13.78 17.96 113.57 -113.79 -71.65 148.41 82.51 14.69 2.80 77.02 3.66 1.47 2.25 0.74 0.00 11.21 3.64 33 I H H 104.09 5.95 10.64 18.20 95.61 -120.57 -64.51 -31.81 34.35 2.29 63.36 11.84 6.39 16.52 44.51 18.18 0.29 1.42 0.85 34 R H H 168.44 1.48 14.30 15.68 95.69 56.88 -68.48 -25.21 32.25 0.88 66.86 5.26 4.37 20.92 48.38 19.87 0.27 0.55 0.39 35 G H H 32.37 5.11 12.47 19.29 96.70 50.79 -70.59 -30.13 24.61 0.62 74.77 6.66 3.64 13.29 54.13 21.55 0.10 0.36 0.27 36 H H H 84.32 7.92 11.22 20.63 93.79 67.37 -66.58 -36.84 15.34 0.62 84.04 5.99 2.64 7.12 70.25 13.31 0.06 0.40 0.22 37 F H H 134.31 2.31 15.01 17.71 92.82 54.38 -66.38 -38.73 14.39 0.62 84.99 2.86 1.90 9.63 73.71 11.10 0.16 0.46 0.18 38 F H H 127.35 2.19 15.75 17.84 93.14 49.04 -68.00 -39.89 12.92 0.86 86.22 2.87 1.73 8.60 77.94 7.80 0.17 0.67 0.22 39 V H H 60.67 6.89 13.72 22.18 93.04 50.96 -65.45 -42.04 4.37 0.19 95.44 1.66 0.71 2.11 93.95 1.38 0.01 0.13 0.04 40 E H H 95.89 4.76 15.57 21.49 92.34 51.36 -64.39 -40.93 2.81 0.07 97.12 0.83 0.31 1.62 96.36 0.80 0.01 0.05 0.01 41 G H H 38.04 2.41 16.83 19.14 92.12 50.38 -64.85 -41.02 2.46 0.03 97.51 0.57 0.24 1.56 96.94 0.65 0.01 0.02 0.01 42 L H H 80.03 4.57 16.04 21.63 92.52 50.36 -65.51 -41.09 0.80 0.01 99.18 0.22 0.08 0.43 99.05 0.21 0.00 0.01 0.00 43 L H H 73.99 6.77 15.35 23.41 92.07 51.28 -64.58 -40.89 0.34 0.00 99.65 0.09 0.03 0.18 99.64 0.06 0.00 0.00 0.00 44 G H H 39.59 2.52 17.11 19.51 91.83 50.95 -64.09 -40.93 0.24 0.00 99.76 0.05 0.01 0.13 99.76 0.04 0.00 0.00 0.00 45 V H H 80.82 2.46 17.18 19.50 92.04 49.91 -64.96 -41.47 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 46 V H H 60.45 6.06 15.03 22.64 92.08 50.36 -64.34 -42.10 0.11 0.00 99.89 0.02 0.01 0.06 99.89 0.02 0.00 0.00 0.00 47 I H H 82.12 4.23 15.84 20.95 91.88 50.06 -64.04 -42.07 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 48 I H H 95.82 1.79 16.73 17.77 91.77 49.85 -64.01 -42.21 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 49 I H H 84.03 3.25 15.03 19.17 91.99 49.55 -64.58 -41.84 0.22 0.00 99.78 0.01 0.01 0.17 99.70 0.11 0.00 0.00 0.00 50 L H H 72.72 5.44 12.99 20.10 92.20 50.18 -64.79 -40.26 0.91 0.00 99.09 0.05 0.04 0.76 98.77 0.38 0.00 0.00 0.00 51 L H H 100.61 2.18 13.91 16.36 92.40 50.51 -66.57 -37.89 5.08 0.01 94.91 0.27 0.26 4.45 93.74 1.26 0.00 0.00 0.00 52 T H H 87.25 1.83 12.83 14.88 94.87 50.60 -75.01 -26.51 21.12 0.09 78.79 2.20 1.90 16.81 76.62 2.36 0.03 0.03 0.05 53 R H H 133.67 4.06 10.48 16.11 98.26 62.81 -78.31 -14.77 39.39 0.60 60.01 11.02 7.33 22.44 53.37 5.14 0.08 0.25 0.38 54 K C H 143.78 2.50 10.77 14.46 97.63 62.38 -73.39 -20.05 51.10 1.25 47.66 22.89 9.62 19.71 29.08 17.33 0.05 0.57 0.75 55 S C C 82.99 2.07 10.30 13.41 99.35 62.80 -84.80 -3.32 62.96 1.35 35.69 27.38 10.57 26.03 17.66 16.92 0.02 0.64 0.79 56 Y C C 149.94 3.66 8.11 13.63 107.25 77.40 -93.12 73.20 72.66 2.82 24.52 38.23 17.40 17.85 8.73 14.62 0.01 1.19 1.96 57 K C C 154.24 1.64 9.93 13.03 116.14 -153.55 -98.81 130.74 98.38 1.24 0.37 61.72 36.22 0.56 0.19 0.14 0.00 0.41 0.76 58 P C C 89.34 4.25 7.49 13.91 115.61 -110.25 -68.69 149.40 99.66 0.22 0.13 94.39 4.86 0.45 0.05 0.05 0.00 0.09 0.11 59 P C C 104.23 2.15 8.40 12.25 111.92 -102.75 -67.04 147.70 98.65 0.29 1.06 91.66 3.43 3.78 0.32 0.50 0.00 0.12 0.20 60 K C C 168.05 1.19 7.56 10.09 109.87 -115.07 -83.67 128.45 98.33 0.46 1.21 94.46 0.98 3.26 0.35 0.47 0.00 0.17 0.30 61 R C C 182.02 1.62 9.02 12.05 109.29 -129.99 -85.95 116.70 99.94 0.03 0.03 99.58 0.20 0.18 0.01 0.01 0.00 0.01 0.01