# 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 102.60 5.97 10.22 17.78 114.09 -157.99 -95.11 130.40 99.84 0.14 0.02 99.83 0.07 0.02 0.01 0.00 0.00 0.06 0.02 1 N C C 94.55 2.40 10.33 13.84 116.01 -148.71 -89.56 154.97 80.71 8.01 11.28 79.00 0.81 1.28 11.40 0.41 0.00 1.98 5.10 2 L H H 127.47 1.48 9.37 11.69 94.12 -111.62 -63.38 -36.12 5.60 0.03 94.36 1.52 0.77 3.20 93.48 1.00 0.00 0.01 0.01 3 L H H 115.34 1.07 10.53 11.57 92.50 53.18 -66.07 -39.06 2.51 0.01 97.47 0.47 0.25 1.61 96.54 1.11 0.00 0.01 0.01 4 Q H H 97.50 2.23 10.97 14.28 92.46 51.78 -66.00 -39.50 1.51 0.01 98.47 0.39 0.16 0.87 97.24 1.33 0.00 0.01 0.00 5 V H H 79.36 2.45 11.54 15.09 92.24 51.41 -64.76 -41.45 1.15 0.01 98.84 0.33 0.12 0.63 98.44 0.46 0.00 0.01 0.00 6 V H H 86.33 1.66 13.29 14.95 92.09 49.46 -64.48 -41.34 0.97 0.01 99.02 0.26 0.09 0.54 98.78 0.32 0.00 0.00 0.00 7 R H H 134.47 1.67 13.36 15.06 92.22 50.33 -64.95 -40.49 1.27 0.01 98.73 0.18 0.08 0.87 98.36 0.51 0.00 0.00 0.00 8 D H H 80.23 2.47 13.05 16.27 92.21 50.50 -65.52 -39.77 3.42 0.01 96.57 0.26 0.18 2.79 96.04 0.71 0.00 0.00 0.00 9 H H H 107.65 2.36 12.90 15.98 92.50 50.80 -65.68 -39.71 7.02 0.01 92.96 0.49 0.41 5.91 92.28 0.88 0.01 0.00 0.01 10 W H H 150.98 1.81 13.16 15.21 92.32 51.57 -65.18 -40.47 3.81 0.02 96.17 0.52 0.32 2.74 93.20 3.20 0.01 0.01 0.01 11 V H H 89.19 1.90 13.12 15.35 92.70 49.46 -66.24 -39.75 3.22 0.01 96.77 0.20 0.16 2.73 90.85 6.04 0.00 0.00 0.00 12 H H H 123.05 1.93 13.01 15.29 93.83 47.45 -71.40 -35.68 7.87 0.01 92.12 0.22 0.28 7.48 86.77 5.22 0.01 0.00 0.00 13 V H H 88.86 2.19 12.95 15.66 95.26 46.21 -73.38 -37.50 24.76 0.05 75.18 0.82 1.61 22.23 71.96 3.25 0.06 0.02 0.04 14 L H H 98.49 2.10 13.20 15.69 94.60 50.25 -70.23 -37.07 25.09 0.36 74.55 6.41 5.35 14.39 68.92 4.49 0.08 0.16 0.20 15 V H H 82.90 2.31 13.17 16.09 93.74 55.09 -65.16 -41.90 24.01 0.26 75.73 5.58 2.98 15.12 64.23 11.79 0.04 0.15 0.13 16 P H H 80.89 2.07 14.18 16.39 93.18 48.90 -66.03 -39.06 20.52 0.22 79.26 5.41 1.84 12.38 67.32 12.81 0.02 0.13 0.09 17 M H H 107.43 1.97 14.04 16.12 92.70 50.54 -66.20 -39.51 7.05 0.06 92.89 1.90 0.81 3.96 83.59 9.69 0.01 0.03 0.02 18 G H H 38.81 2.36 13.95 16.90 92.31 51.70 -64.53 -40.77 3.99 0.02 95.99 0.66 0.36 2.84 93.44 2.68 0.00 0.01 0.01 19 F H H 122.97 1.86 14.52 16.35 92.40 49.71 -65.72 -40.83 1.78 0.01 98.21 0.28 0.14 1.24 96.62 1.71 0.00 0.00 0.00 20 V H H 82.62 2.20 14.66 17.13 92.16 49.35 -64.75 -42.24 0.68 0.01 99.31 0.12 0.06 0.44 98.85 0.53 0.00 0.00 0.00 21 F H H 118.40 1.78 15.28 16.71 91.94 49.11 -64.80 -41.54 0.34 0.00 99.65 0.05 0.02 0.22 99.51 0.19 0.00 0.00 0.00 22 G H H 34.44 2.49 14.44 17.66 91.88 50.76 -63.08 -41.69 0.38 0.00 99.62 0.04 0.02 0.26 99.53 0.14 0.00 0.00 0.00 23 Y H H 123.60 2.18 14.83 17.19 91.89 49.35 -64.69 -41.53 0.39 0.00 99.61 0.03 0.02 0.29 99.51 0.15 0.00 0.00 0.00 24 Y H H 126.42 2.00 15.02 17.02 92.00 49.90 -64.23 -41.87 0.65 0.00 99.35 0.07 0.04 0.47 99.22 0.20 0.00 0.00 0.00 25 L H H 93.33 1.76 15.12 16.54 91.82 49.29 -64.86 -40.92 1.31 0.00 98.68 0.18 0.09 0.93 98.42 0.37 0.00 0.00 0.00 26 D H H 79.48 2.16 14.83 17.17 91.92 50.82 -64.64 -40.48 3.77 0.01 96.22 0.50 0.28 2.74 95.96 0.51 0.00 0.00 0.00 27 R H H 133.56 1.97 15.09 17.00 92.11 49.69 -65.43 -39.82 6.74 0.02 93.24 1.14 0.65 4.67 92.74 0.77 0.01 0.01 0.01 28 K H H 113.25 2.00 15.21 17.16 91.96 51.25 -64.63 -40.67 8.27 0.04 91.69 2.32 1.08 4.62 90.95 0.98 0.01 0.01 0.02 29 N H H 86.01 2.21 14.90 17.29 91.94 50.20 -64.99 -40.12 9.60 0.04 90.35 3.49 1.17 4.60 89.71 0.99 0.00 0.02 0.02 30 D H H 80.82 2.32 14.78 17.36 92.22 50.27 -65.32 -40.46 5.92 0.03 94.05 2.27 0.82 2.61 93.36 0.92 0.00 0.01 0.01 31 E H H 111.93 1.72 15.28 16.56 92.07 50.07 -65.16 -40.44 2.83 0.01 97.15 0.86 0.36 1.45 96.55 0.77 0.00 0.01 0.00 32 K H H 120.65 1.91 15.36 17.13 92.15 49.92 -64.97 -40.77 2.38 0.01 97.60 0.61 0.28 1.36 96.85 0.88 0.01 0.01 0.00 33 L H H 85.90 2.85 14.19 17.93 92.11 50.24 -64.95 -40.37 2.55 0.02 97.43 0.58 0.27 1.54 96.45 1.14 0.01 0.01 0.00 34 T H H 71.91 2.21 15.04 17.40 91.90 50.58 -64.51 -40.90 4.08 0.02 95.90 0.79 0.43 2.64 94.50 1.61 0.01 0.01 0.01 35 A H H 59.62 2.03 14.98 17.00 92.04 50.99 -64.79 -40.34 8.06 0.03 91.91 1.01 0.70 5.99 90.02 2.23 0.02 0.01 0.01 36 F H H 111.21 2.87 13.77 17.45 93.12 48.69 -67.10 -38.97 13.93 0.12 85.95 3.26 1.88 9.04 82.10 3.58 0.03 0.05 0.07 37 R H H 131.59 3.09 13.16 17.40 92.64 53.70 -64.94 -38.50 18.68 0.23 81.09 5.41 2.73 11.03 76.36 4.21 0.04 0.10 0.12 38 N H H 101.59 1.78 13.96 15.66 94.59 51.53 -72.29 -28.97 28.89 0.31 70.80 8.99 3.98 16.43 65.79 4.46 0.03 0.13 0.18 39 K H H 120.78 2.31 13.17 15.96 94.89 55.56 -72.33 -32.29 29.16 0.47 70.37 9.78 6.11 14.43 63.27 5.88 0.06 0.21 0.25 40 S H H 45.74 5.52 10.21 17.69 95.99 58.44 -73.06 -29.24 31.02 0.86 68.11 14.64 5.46 12.61 58.67 7.69 0.06 0.43 0.44 41 L H H 110.14 2.22 11.15 14.45 93.41 59.84 -68.33 -34.09 27.08 0.50 72.41 6.19 3.96 15.91 54.31 18.99 0.12 0.26 0.26 42 L H H 128.01 1.18 10.97 12.30 94.91 51.13 -71.97 -32.76 32.47 0.54 66.98 4.26 4.45 22.35 50.45 17.70 0.21 0.28 0.31 43 Y C H 153.86 2.16 9.77 13.02 99.56 39.59 -93.76 1.30 50.72 1.15 48.13 7.80 10.39 32.37 34.46 13.50 0.21 0.51 0.76 44 K C C 166.56 1.37 10.38 12.78 98.57 -128.38 50.36 36.42 90.92 1.15 7.92 41.93 12.53 37.11 4.43 2.83 0.00 0.63 0.54 45 R C C 134.85 3.38 8.88 14.41 120.96 151.77 -98.90 148.57 95.95 2.92 1.13 81.02 12.57 2.35 0.42 0.69 0.00 1.69 1.26 46 E C C 154.15 1.20 12.86 14.44 114.05 -107.03 -78.08 135.04 93.05 6.47 0.48 90.38 2.34 0.63 0.17 0.23 0.00 3.59 2.66 47 L C C 79.68 10.15 6.69 17.21 116.79 -125.25 -80.70 140.90 91.35 8.54 0.11 88.73 2.56 0.11 0.05 0.04 0.00 2.75 5.76 48 K C C 125.96 2.20 10.76 14.18 116.72 -111.54 -71.88 149.62 99.81 0.16 0.02 99.10 0.71 0.05 0.01 0.01 0.00 0.05 0.07 49 P C T 119.16 1.35 9.25 11.71 100.98 -100.54 -61.01 123.14 98.98 0.08 0.94 1.59 3.88 93.45 0.05 0.95 0.00 0.04 0.04 50 N C T 144.20 0.43 10.45 9.72 95.88 23.39 53.38 6.26 98.64 0.07 1.29 1.87 3.96 92.67 0.07 1.36 0.00 0.04 0.03 51 E C C 95.51 5.68 6.85 14.54 117.01 130.45 -82.49 142.23 94.60 0.92 4.49 67.57 24.47 2.50 1.03 3.32 0.00 0.33 0.78 52 E C C 153.43 1.09 12.13 13.51 115.10 -120.01 -81.77 139.03 96.12 1.27 2.61 88.18 6.05 1.96 0.97 1.47 0.00 0.57 0.79 53 V C C 89.27 7.53 7.42 16.22 113.79 -120.24 -81.67 134.36 95.09 2.00 2.91 86.14 5.54 3.51 0.77 1.99 0.00 1.05 0.99 54 T C C 98.38 2.65 9.71 13.82 105.02 -163.08 -92.89 2.67 94.76 2.50 2.74 75.63 12.20 6.58 0.76 2.02 0.00 1.25 1.56 55 W C C 167.75 3.87 7.27 12.97 111.02 78.64 -93.77 115.57 96.90 1.86 1.24 89.18 4.07 3.65 0.42 0.66 0.00 0.78 1.26 56 K C C 162.40 1.36 11.82 13.81 109.10 -118.94 -80.44 125.08 99.96 0.04 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.02 0.01