# 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 A C C 72.64 5.00 11.38 17.83 114.08 -125.42 -80.09 143.29 99.88 0.07 0.05 99.77 0.09 0.06 0.02 0.00 0.00 0.03 0.01 1 L C C 119.32 3.14 9.29 14.26 112.77 -126.85 -89.42 128.91 86.63 5.77 7.60 83.28 1.27 2.41 6.84 0.90 0.00 3.02 2.29 2 R C C 159.81 2.97 9.32 14.28 114.99 -151.74 -94.76 132.60 81.63 8.13 10.23 69.39 8.33 3.08 10.04 1.48 0.00 4.36 3.32 3 T C C 65.58 5.72 9.04 16.56 118.20 -152.90 -93.53 156.25 80.45 3.88 15.68 70.83 5.96 2.44 16.36 1.17 0.00 2.00 1.24 4 R H H 167.58 1.59 13.44 15.36 93.74 -118.30 -63.34 -36.00 15.46 0.62 83.93 9.02 3.39 4.55 80.48 2.00 0.02 0.33 0.21 5 L H H 83.09 5.32 12.63 19.34 92.73 52.64 -66.08 -39.51 6.80 0.13 93.07 2.24 1.09 3.84 90.16 2.52 0.04 0.08 0.05 6 G H H 21.42 8.16 11.60 21.84 92.43 53.05 -63.53 -40.25 3.76 0.06 96.18 1.15 0.52 2.18 92.95 3.13 0.02 0.04 0.02 7 E H H 115.83 2.30 15.71 18.21 92.26 51.18 -66.18 -38.38 3.44 0.05 96.51 0.80 0.42 2.21 92.72 3.79 0.02 0.03 0.02 8 I H H 94.81 3.30 15.48 19.35 93.08 49.41 -68.18 -38.27 8.99 0.06 90.95 0.75 0.73 7.63 87.35 3.42 0.06 0.03 0.03 9 L H H 63.82 9.28 13.14 23.56 94.69 49.24 -74.91 -29.87 14.70 0.05 85.25 1.20 1.51 12.19 82.90 2.09 0.05 0.02 0.04 10 R H H 123.94 5.49 14.87 21.87 92.57 64.77 -62.02 -42.94 11.72 0.10 88.17 2.72 1.33 6.59 64.87 24.37 0.02 0.06 0.04 11 P H H 77.84 2.22 16.73 18.59 92.39 50.10 -65.10 -37.88 10.63 0.11 89.26 2.09 0.99 6.30 64.49 26.00 0.02 0.07 0.03 12 L H H 70.23 5.82 14.12 21.51 92.67 50.73 -66.45 -38.56 8.86 0.15 90.99 2.15 1.18 4.90 66.14 25.47 0.02 0.10 0.04 13 N H H 58.81 8.44 12.11 22.18 92.89 52.38 -65.95 -35.29 19.11 0.61 80.28 8.33 3.32 8.18 64.48 15.05 0.05 0.34 0.25 14 A H H 69.83 2.56 13.69 17.01 93.18 57.61 -66.68 -34.76 26.22 0.65 73.14 6.18 3.56 15.35 51.98 22.16 0.13 0.36 0.27 15 E H H 134.37 1.95 13.08 15.54 94.23 54.23 -74.76 -22.32 33.96 1.15 64.89 7.13 4.58 20.73 45.22 20.95 0.21 0.65 0.52 16 Y C T 134.50 5.00 9.98 16.60 100.63 54.54 -88.14 0.96 57.94 1.53 40.53 8.34 9.39 38.58 26.30 15.36 0.21 0.78 1.04 17 G C T 55.77 2.42 12.69 16.22 101.36 -106.49 74.91 10.58 86.66 1.78 11.57 21.60 13.02 52.73 6.40 4.51 0.01 1.04 0.71 18 K C C 136.23 3.32 12.32 17.29 110.55 113.36 -97.64 98.49 81.73 11.68 6.60 57.30 13.79 10.26 3.22 3.52 0.01 8.19 3.71 19 V C C 87.13 6.89 9.68 18.14 115.18 95.58 -97.57 130.20 74.71 22.39 2.90 55.69 15.03 3.09 1.81 1.35 0.01 12.52 10.49 20 A C C 64.01 4.71 10.95 17.46 116.44 -134.16 -94.95 142.51 87.94 10.94 1.12 71.26 14.11 2.37 0.50 0.66 0.00 8.66 2.44 21 P C C 104.06 2.72 11.86 16.04 109.80 -102.90 -69.37 141.81 90.26 4.61 5.13 39.46 21.38 30.24 1.29 3.53 0.00 2.92 1.18 22 G C C 54.37 2.50 11.28 15.16 110.92 24.90 96.83 -16.71 88.01 4.43 7.56 35.67 22.94 30.30 1.91 5.14 0.01 2.34 1.68 23 W C C 179.68 3.08 10.14 14.68 105.96 10.16 -88.55 59.88 80.11 5.90 13.99 30.92 22.56 28.01 4.26 8.57 0.04 2.80 2.83 24 G C C 47.46 3.80 12.26 17.34 106.86 14.89 74.46 -3.56 80.23 5.71 14.06 32.05 23.35 26.32 5.38 7.56 0.04 2.83 2.49 25 T C C 73.48 5.89 11.19 18.60 102.53 84.49 -88.94 -6.52 71.75 4.72 23.53 44.89 16.17 10.87 16.51 6.85 0.04 2.10 2.58 26 T H H 72.59 4.80 12.26 18.57 96.56 84.35 -66.97 -40.26 31.34 0.82 67.85 17.64 10.17 4.81 65.08 1.69 0.01 0.30 0.30 27 P H H 92.46 1.89 14.40 16.20 93.52 50.33 -65.50 -37.14 14.66 0.56 84.78 6.30 2.64 6.60 81.67 2.25 0.04 0.32 0.17 28 I H H 97.84 2.74 14.06 17.42 93.26 48.96 -67.75 -39.89 8.09 0.70 91.21 3.77 1.23 3.61 88.69 2.02 0.03 0.48 0.17 29 M H H 80.50 5.72 12.97 20.31 92.66 51.27 -65.51 -40.17 3.47 0.21 96.32 1.95 0.48 1.19 95.43 0.78 0.00 0.13 0.04 30 G H H 35.01 3.23 14.47 18.76 91.94 52.06 -63.79 -40.92 2.30 0.12 97.58 1.16 0.26 0.88 97.27 0.32 0.00 0.08 0.02 31 I H H 101.87 1.66 15.85 16.80 92.36 49.40 -65.46 -41.15 0.82 0.04 99.13 0.33 0.07 0.37 99.02 0.16 0.00 0.04 0.01 32 V H H 74.45 3.54 14.77 19.31 92.15 49.90 -65.12 -41.34 0.38 0.02 99.60 0.15 0.03 0.17 99.55 0.08 0.00 0.01 0.00 33 M H H 91.53 4.11 14.39 19.68 92.24 50.32 -64.99 -40.67 0.31 0.01 99.69 0.08 0.02 0.16 99.68 0.05 0.00 0.00 0.00 34 L H H 95.39 1.87 15.59 17.16 91.85 50.80 -64.23 -41.09 0.19 0.00 99.80 0.04 0.01 0.11 99.80 0.04 0.00 0.00 0.00 35 A H H 61.92 2.08 15.40 17.39 91.70 50.57 -64.61 -41.16 0.21 0.00 99.78 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 36 F H H 105.92 3.74 14.39 19.16 92.03 49.99 -65.15 -40.53 0.26 0.00 99.73 0.02 0.01 0.18 99.72 0.06 0.00 0.00 0.00 37 L H H 89.45 2.89 14.83 18.39 92.00 51.10 -64.36 -40.77 0.29 0.00 99.71 0.03 0.01 0.19 99.69 0.07 0.00 0.00 0.00 38 I H H 99.35 1.71 15.67 16.82 91.82 50.29 -64.44 -41.70 0.26 0.00 99.73 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 39 F H H 112.15 2.71 14.98 18.19 91.91 49.91 -64.88 -40.76 0.29 0.00 99.71 0.03 0.01 0.19 99.68 0.08 0.00 0.00 0.00 40 L H H 85.86 3.62 14.52 19.07 92.09 50.89 -64.79 -40.63 0.22 0.00 99.78 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 41 V H H 81.01 2.39 15.36 17.94 92.11 50.19 -64.90 -41.24 0.28 0.01 99.72 0.04 0.01 0.19 99.67 0.08 0.00 0.01 0.00 42 I H H 91.16 2.30 15.57 17.89 92.11 49.81 -64.61 -41.87 0.35 0.01 99.64 0.05 0.02 0.23 99.60 0.09 0.00 0.01 0.00 43 I H H 85.57 3.29 14.83 18.96 92.13 49.53 -64.87 -41.59 0.35 0.01 99.64 0.05 0.02 0.22 99.57 0.12 0.00 0.01 0.00 44 L H H 83.23 3.35 14.33 18.67 91.98 50.68 -64.39 -41.07 0.50 0.02 99.48 0.07 0.03 0.34 99.23 0.32 0.00 0.02 0.00 45 Q H H 101.72 2.37 14.50 17.32 92.21 50.59 -64.78 -40.23 1.45 0.03 98.52 0.15 0.08 1.12 98.04 0.58 0.00 0.03 0.00 46 I H H 98.23 2.22 14.16 16.69 92.92 48.81 -66.38 -40.68 3.50 0.06 96.43 0.41 0.27 2.66 95.78 0.80 0.01 0.05 0.01 47 Y H H 136.85 2.60 13.14 16.38 93.34 48.47 -68.07 -37.51 10.24 0.18 89.58 1.83 1.28 7.19 88.31 1.18 0.04 0.09 0.07 48 N H H 94.60 3.29 11.92 16.48 96.34 49.37 -83.55 -11.21 32.50 0.61 66.90 8.48 4.47 20.25 63.76 2.40 0.06 0.27 0.31 49 S H H 70.11 3.12 11.38 15.78 97.40 71.61 -77.27 -18.22 48.99 1.09 49.92 14.88 9.74 25.65 43.62 4.98 0.09 0.50 0.54 50 S C H 66.64 3.41 10.45 15.35 104.86 76.44 -81.40 20.95 50.21 2.05 47.74 20.71 10.42 20.69 37.47 8.64 0.11 1.08 0.88 51 L H H 118.73 2.01 9.97 13.10 98.36 104.66 -74.89 -19.12 42.13 4.69 53.18 16.23 9.92 17.16 36.47 15.44 0.36 3.01 1.42 52 I H H 120.60 2.06 10.00 13.11 99.18 58.75 -77.08 -24.23 41.05 9.97 48.98 15.36 9.20 17.48 31.80 15.80 1.05 6.90 2.42 53 I H H 107.87 3.64 8.25 13.51 103.29 56.28 -87.88 16.22 41.37 12.26 46.37 17.34 9.58 15.83 27.40 17.45 1.17 7.97 3.26 54 E C T 142.18 1.95 9.25 12.68 103.66 97.74 -79.57 60.74 64.92 4.32 30.77 12.64 9.54 41.39 19.19 12.46 0.27 2.78 1.74 55 N C T 137.74 0.77 10.52 11.14 99.72 12.74 -62.48 20.31 79.13 2.66 18.21 17.58 11.59 50.59 8.38 9.13 0.03 1.79 0.91 56 V C C 88.15 5.03 6.67 13.67 117.35 130.42 -95.48 132.35 85.05 10.73 4.22 67.01 14.06 3.59 2.51 1.89 0.00 7.60 3.33 57 D C C 125.38 0.88 11.74 12.62 111.61 -140.91 -94.30 117.26 84.88 12.82 2.30 78.23 3.97 2.32 1.13 0.99 0.00 10.58 2.77 58 V C C 89.63 6.98 6.83 15.35 119.29 -170.19 -108.71 132.48 84.56 12.24 3.20 73.16 7.85 3.20 1.63 1.53 0.00 9.41 3.22 59 D C C 107.38 1.71 11.40 14.04 112.58 -158.97 -102.55 116.94 87.70 8.66 3.64 78.02 5.96 3.54 1.85 1.66 0.00 6.13 2.83 60 W C C 166.18 5.13 7.70 14.63 100.12 -170.13 -82.47 -2.65 70.62 5.21 24.17 39.49 10.81 21.10 6.58 17.00 0.01 3.30 1.71 61 A C T 89.50 1.50 9.40 11.98 98.31 79.63 -79.33 -10.53 71.35 3.04 25.61 22.11 17.06 33.70 5.41 18.74 0.03 1.67 1.30 62 N C T 119.25 1.78 8.59 11.75 106.22 75.16 -89.02 61.02 71.87 3.19 24.94 24.02 20.86 28.73 4.42 18.83 0.02 1.69 1.44 63 G C C 57.17 2.09 8.42 12.15 109.77 -123.45 11.30 125.44 89.47 2.11 8.42 71.57 3.89 14.95 2.15 5.23 0.00 1.29 0.93 64 I C C 121.67 3.80 9.30 14.90 108.79 -104.52 -90.00 105.22 99.73 0.24 0.02 99.65 0.14 0.04 0.01 0.00 0.00 0.12 0.03