# 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 126.66 3.43 10.91 15.99 117.24 -166.62 -97.64 137.87 99.91 0.06 0.03 99.82 0.09 0.05 0.01 0.00 0.00 0.03 0.01 1 A C C 77.03 3.77 8.74 14.35 113.27 -114.75 -77.94 143.42 89.16 2.42 8.42 85.41 1.05 3.79 6.00 1.44 0.00 1.35 0.96 2 L C C 120.00 2.99 8.80 13.69 111.77 -128.44 -87.33 128.16 83.39 4.98 11.63 66.77 10.49 5.58 9.69 2.62 0.00 3.00 1.84 3 R C C 156.60 3.47 9.97 15.35 114.31 -146.53 -93.15 131.23 79.91 6.91 13.18 65.77 9.70 3.74 11.83 2.41 0.01 3.89 2.67 4 T C C 62.23 6.27 9.62 17.66 119.23 -153.43 -96.01 156.70 79.14 3.50 17.36 67.95 7.34 2.69 17.64 1.44 0.00 1.76 1.18 5 R H H 167.42 1.66 13.78 15.75 93.55 -114.60 -63.02 -36.02 17.47 0.65 81.88 10.16 4.03 4.96 78.13 2.12 0.03 0.34 0.23 6 L H H 81.96 5.60 13.08 19.93 92.42 52.34 -66.06 -39.62 7.92 0.15 91.92 2.57 1.29 4.52 88.58 2.86 0.05 0.09 0.06 7 G H H 19.71 9.00 11.74 22.70 92.36 52.78 -63.76 -40.50 4.62 0.08 95.30 1.40 0.67 2.71 91.46 3.64 0.02 0.06 0.03 8 E H H 114.02 2.58 15.98 18.90 92.21 51.39 -66.36 -38.19 4.23 0.06 95.70 1.00 0.55 2.71 91.01 4.64 0.03 0.04 0.02 9 I H H 93.43 3.70 15.80 20.01 93.16 49.34 -68.49 -38.03 10.24 0.07 89.68 0.85 0.85 8.67 85.33 4.14 0.08 0.04 0.04 10 L H H 59.75 10.26 13.26 24.42 95.04 48.64 -76.08 -27.42 17.10 0.07 82.83 1.47 1.84 14.06 80.00 2.48 0.06 0.03 0.05 11 R H H 121.12 6.21 14.87 22.55 93.20 67.43 -62.23 -43.09 11.78 0.11 88.11 2.78 1.36 6.52 65.50 23.72 0.02 0.06 0.04 12 P H H 77.82 2.19 17.03 18.82 92.46 50.06 -65.08 -37.91 10.28 0.12 89.60 2.01 0.97 6.07 65.92 24.90 0.02 0.08 0.03 13 L H H 68.11 5.93 14.38 21.80 92.72 50.99 -66.09 -38.78 8.13 0.15 91.72 1.89 1.07 4.56 68.32 24.00 0.03 0.10 0.04 14 N H H 53.02 9.04 11.81 22.47 92.84 52.11 -65.86 -36.53 16.63 0.55 82.83 7.11 2.91 7.34 67.52 14.54 0.05 0.31 0.21 15 A H H 70.14 2.53 13.52 16.87 92.77 56.21 -65.85 -36.38 23.94 0.55 75.51 5.17 3.06 14.43 55.47 21.22 0.12 0.31 0.23 16 E H H 137.56 1.67 13.05 15.03 93.79 53.24 -73.09 -26.10 32.24 0.96 66.80 6.09 4.16 20.32 48.57 19.67 0.20 0.55 0.44 17 Y C T 133.36 4.68 10.18 16.43 98.89 49.21 -90.61 -2.72 54.93 1.62 43.45 8.37 9.28 35.88 29.96 14.33 0.28 0.83 1.06 18 G C T 55.78 2.33 12.53 15.95 101.43 -113.04 75.25 14.32 88.06 2.11 9.83 23.94 14.16 50.82 4.96 4.10 0.01 1.27 0.75 19 K C C 133.87 3.44 12.47 17.52 112.80 110.69 -103.47 114.21 80.57 13.16 6.27 55.44 14.26 10.66 2.65 3.75 0.01 9.63 3.61 20 V C C 83.79 7.67 9.54 18.64 115.76 134.60 -98.68 128.59 74.60 23.18 2.22 56.69 14.52 2.56 1.33 1.12 0.01 14.15 9.62 21 V C C 89.48 4.42 11.47 17.76 117.52 -151.24 -102.73 136.47 87.71 11.57 0.72 73.27 12.52 1.62 0.31 0.43 0.00 9.68 2.16 22 P C C 101.01 3.14 11.86 16.59 110.79 -105.13 -67.53 144.49 90.80 5.12 4.08 44.03 21.40 26.10 1.00 2.87 0.00 3.45 1.15 23 G C C 52.90 3.00 11.27 15.71 110.24 25.19 95.42 84.71 89.13 4.31 6.55 41.32 21.63 26.90 1.65 4.56 0.00 2.31 1.62 24 W C C 179.15 3.09 10.09 14.69 105.03 13.73 -87.99 56.05 79.81 5.76 14.43 32.18 20.98 27.95 4.16 9.18 0.03 2.74 2.78 25 G C C 48.38 3.65 12.26 17.18 105.79 18.74 77.06 -5.19 79.92 5.29 14.79 30.36 23.04 28.05 5.11 8.46 0.03 2.59 2.35 26 T C C 75.55 5.60 11.12 18.24 102.66 82.33 -89.75 -1.75 72.08 4.40 23.51 43.31 16.83 12.22 15.15 8.05 0.03 1.95 2.46 27 T H H 73.00 4.73 12.09 18.32 98.41 83.51 -69.47 -39.38 32.78 0.82 66.40 17.90 11.35 4.82 63.59 1.73 0.02 0.29 0.31 28 P H H 93.24 1.84 14.17 15.94 94.26 50.26 -65.46 -36.83 14.47 0.52 85.01 6.25 2.64 6.47 81.76 2.38 0.04 0.30 0.17 29 I H H 99.10 2.62 13.89 17.09 93.67 49.08 -67.88 -39.59 8.22 0.68 91.11 3.84 1.26 3.64 88.40 2.20 0.03 0.46 0.16 30 M H H 81.25 5.57 12.86 20.07 93.00 51.24 -65.86 -39.92 4.31 0.29 95.40 2.45 0.62 1.50 94.09 1.10 0.00 0.18 0.06 31 G H H 35.56 3.11 14.41 18.51 92.15 52.03 -63.82 -40.91 3.06 0.14 96.80 1.54 0.37 1.19 96.34 0.43 0.00 0.09 0.03 32 L H H 99.56 1.62 15.69 16.61 92.56 49.52 -65.42 -40.77 1.27 0.05 98.67 0.52 0.13 0.59 98.47 0.24 0.00 0.04 0.01 33 T H H 67.20 3.58 14.60 19.22 92.26 50.46 -65.38 -41.05 0.68 0.02 99.30 0.27 0.06 0.31 99.21 0.13 0.00 0.02 0.00 34 M H H 92.63 4.05 14.31 19.49 92.31 50.79 -64.99 -40.45 0.51 0.01 99.48 0.14 0.03 0.27 99.47 0.08 0.00 0.01 0.00 35 V H H 86.51 1.83 15.57 17.02 91.90 50.72 -64.25 -41.16 0.25 0.00 99.75 0.06 0.01 0.13 99.75 0.05 0.00 0.00 0.00 36 L H H 94.93 1.96 15.38 17.17 91.89 50.37 -64.47 -41.27 0.19 0.00 99.81 0.03 0.01 0.11 99.79 0.05 0.00 0.00 0.00 37 F H H 104.72 3.87 14.26 19.21 92.10 50.05 -65.19 -40.49 0.19 0.00 99.81 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 38 L H H 90.13 2.80 14.87 18.22 91.95 50.83 -64.26 -40.70 0.24 0.00 99.75 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 39 V H H 87.15 1.67 15.71 16.76 91.81 50.24 -64.48 -41.82 0.28 0.00 99.72 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 40 F H H 110.44 2.85 14.91 18.36 91.91 49.89 -64.96 -40.84 0.32 0.00 99.67 0.04 0.01 0.22 99.64 0.09 0.00 0.00 0.00 41 L H H 85.19 3.79 14.39 19.16 92.03 50.90 -64.68 -40.60 0.22 0.00 99.78 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 42 L H H 91.84 2.25 15.47 17.76 92.12 50.74 -64.71 -40.84 0.27 0.00 99.73 0.03 0.01 0.18 99.68 0.09 0.00 0.00 0.00 43 I H H 90.99 2.34 15.56 17.94 92.09 49.86 -64.64 -41.80 0.37 0.01 99.61 0.05 0.02 0.25 99.58 0.09 0.00 0.01 0.00 44 I H H 84.17 3.52 14.75 19.21 92.14 49.61 -64.73 -41.60 0.38 0.01 99.61 0.06 0.02 0.24 99.54 0.13 0.00 0.01 0.00 45 L H H 83.90 3.35 14.40 18.66 91.92 50.79 -64.30 -41.10 0.52 0.02 99.46 0.07 0.03 0.34 99.22 0.31 0.00 0.02 0.00 46 Q H H 102.67 2.31 14.63 17.32 92.22 50.51 -64.91 -40.29 1.43 0.03 98.54 0.15 0.08 1.10 98.05 0.58 0.00 0.03 0.00 47 I H H 97.13 2.36 14.17 16.94 92.89 48.89 -66.46 -40.70 3.34 0.06 96.60 0.39 0.25 2.53 95.95 0.82 0.01 0.05 0.01 48 Y H H 135.79 2.71 13.23 16.57 93.42 48.75 -68.04 -37.74 9.63 0.15 90.22 1.68 1.19 6.77 89.01 1.17 0.03 0.07 0.06 49 N H H 94.74 3.16 12.25 16.57 95.72 49.55 -82.16 -14.77 30.94 0.57 68.50 8.15 4.32 19.17 65.38 2.39 0.06 0.25 0.29 50 S H H 67.65 3.29 11.49 16.08 96.82 69.40 -76.09 -19.79 46.76 0.97 52.27 14.11 9.06 24.93 45.73 5.15 0.08 0.45 0.50 51 S H H 65.88 3.44 10.73 15.62 101.19 73.00 -79.62 -13.69 46.54 1.82 51.63 19.07 9.38 19.66 40.52 9.49 0.11 0.96 0.80 52 L H H 116.01 2.07 10.28 13.40 97.34 87.90 -73.69 -26.13 38.89 3.97 57.14 14.51 8.62 16.63 38.98 17.17 0.32 2.58 1.20 53 I H H 119.12 2.12 10.18 13.32 98.37 61.22 -78.99 -21.88 38.47 8.76 52.77 14.08 8.20 16.92 34.70 16.92 0.89 6.22 2.06 54 I H H 107.93 3.61 8.38 13.58 103.25 55.52 -87.53 14.15 39.72 11.67 48.62 16.70 9.01 15.32 29.38 17.72 1.11 7.71 3.04 55 E C T 141.29 1.98 9.24 12.70 103.79 114.53 -79.65 42.93 64.05 4.45 31.50 13.01 9.43 40.32 20.61 11.76 0.27 2.87 1.73 56 N C T 137.24 0.78 10.47 11.08 99.74 20.62 -74.05 19.18 78.97 2.93 18.10 18.42 11.47 49.76 8.82 8.58 0.03 2.01 0.92 57 V C C 88.67 4.92 6.68 13.56 117.54 129.32 -94.93 132.55 85.20 10.54 4.26 67.63 13.63 3.57 2.66 1.81 0.00 7.42 3.27 58 D C C 125.70 0.87 11.61 12.49 111.86 -141.01 -94.97 118.69 84.90 12.79 2.31 78.50 3.83 2.26 1.21 0.94 0.00 10.32 2.94 59 V C C 89.16 6.85 6.83 15.26 119.06 -171.11 -108.77 132.05 85.80 11.23 2.97 75.99 7.01 2.61 1.65 1.28 0.00 8.37 3.08 60 D C C 107.90 1.66 11.18 13.75 112.52 -158.43 -101.37 116.70 89.68 6.67 3.65 81.31 5.33 3.06 1.97 1.49 0.00 4.53 2.31 61 W C C 166.56 4.76 7.83 14.43 98.52 -168.95 -80.35 -8.14 63.46 3.48 33.06 34.87 9.53 19.78 9.24 23.22 0.01 2.13 1.22 62 A C T 87.20 1.55 9.32 11.95 98.00 75.88 -77.86 -13.90 60.84 2.09 37.07 19.15 12.80 30.23 8.53 27.19 0.03 1.14 0.94 63 N C G 118.16 1.79 8.36 11.43 105.76 71.29 -88.03 38.46 59.69 2.63 37.68 22.24 15.08 24.39 7.35 28.39 0.03 1.43 1.11 64 A C C 85.87 2.13 7.14 11.00 108.30 126.67 -85.61 104.49 76.12 2.54 21.35 59.74 3.89 14.29 6.48 12.91 0.00 1.53 1.16 65 I C C 123.08 3.18 8.94 13.94 109.88 -150.96 -92.43 112.59 99.77 0.20 0.03 99.68 0.13 0.05 0.01 0.00 0.00 0.10 0.03