# 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 76.18 3.37 11.31 16.06 112.61 -133.12 -84.03 141.73 99.95 0.02 0.03 99.87 0.07 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 73.34 3.14 9.33 14.18 114.81 -108.86 -78.30 147.67 82.12 0.16 17.72 76.88 0.75 4.40 16.96 0.85 0.00 0.06 0.10 2 P C C 90.34 3.45 8.68 13.80 108.09 -102.92 -71.60 146.49 71.02 0.28 28.70 51.38 6.19 11.21 28.81 2.12 0.00 0.11 0.17 3 T H H 88.51 2.31 9.87 13.30 108.11 -121.77 -78.37 159.20 43.08 0.39 56.54 31.34 5.45 6.18 54.46 2.22 0.00 0.13 0.21 4 L H H 121.07 1.44 10.40 12.23 94.80 -80.14 -65.04 -37.05 9.70 0.09 90.21 4.46 1.89 3.59 88.39 1.58 0.01 0.04 0.04 5 T H H 84.77 1.64 11.62 13.66 92.87 51.43 -65.95 -39.33 5.56 0.05 94.39 2.56 0.82 2.22 93.15 1.21 0.00 0.02 0.02 6 A H H 52.46 3.60 11.29 16.61 92.30 51.57 -65.53 -39.93 2.12 0.02 97.86 0.92 0.30 0.87 97.19 0.70 0.00 0.01 0.00 7 R H H 138.16 2.00 13.42 15.82 92.30 50.84 -65.21 -40.70 1.31 0.02 98.67 0.44 0.16 0.66 98.22 0.49 0.01 0.01 0.00 8 L H H 96.19 1.65 14.06 15.40 92.18 49.67 -64.68 -41.46 1.20 0.02 98.79 0.31 0.13 0.67 98.39 0.48 0.01 0.01 0.00 9 Y H H 118.58 2.71 13.07 16.72 92.58 49.17 -65.90 -40.59 1.91 0.02 98.06 0.46 0.21 1.15 97.50 0.65 0.01 0.01 0.01 10 S H H 55.63 3.62 12.50 17.57 92.53 51.44 -65.58 -39.28 3.99 0.02 95.99 0.45 0.31 3.10 95.16 0.93 0.02 0.01 0.01 11 L H H 100.05 1.82 13.66 15.49 93.36 48.99 -67.18 -40.08 8.66 0.03 91.31 0.41 0.60 7.94 89.54 1.42 0.06 0.01 0.02 12 L H H 103.76 2.02 13.23 15.44 95.41 44.07 -72.21 -38.41 25.27 0.11 74.63 0.86 1.96 23.12 71.14 2.59 0.21 0.04 0.09 13 F H H 119.31 3.59 11.69 16.60 98.33 39.92 -85.21 -23.55 44.98 0.40 54.63 3.47 5.32 35.95 48.05 6.47 0.26 0.16 0.32 14 R C T 147.85 2.88 12.28 16.33 95.53 68.35 -73.47 -24.61 58.28 0.96 40.76 10.64 12.24 35.72 31.84 8.31 0.18 0.41 0.67 15 R C C 149.73 2.50 12.15 15.56 103.60 53.90 -91.24 22.13 66.76 1.59 31.65 28.18 15.48 24.36 22.71 7.58 0.04 0.63 1.01 16 T C H 73.78 4.56 11.10 17.29 110.96 96.70 -87.25 145.46 50.07 1.05 48.89 32.66 12.47 5.19 46.77 1.99 0.01 0.33 0.58 17 S H H 75.13 2.44 12.84 15.98 94.64 -121.51 -65.96 -32.85 14.92 0.14 84.94 5.63 2.98 6.62 82.82 1.81 0.01 0.06 0.07 18 T H H 78.25 2.61 13.74 16.85 93.82 54.60 -66.67 -39.64 6.79 0.07 93.14 2.52 0.94 3.12 92.18 1.18 0.01 0.03 0.03 19 F H H 104.19 4.33 12.97 18.80 92.78 50.80 -65.63 -40.33 2.10 0.02 97.88 0.76 0.24 0.95 97.35 0.69 0.00 0.01 0.00 20 A H H 58.03 3.35 13.82 18.16 91.99 51.88 -64.00 -41.14 0.87 0.00 99.12 0.28 0.08 0.39 99.00 0.26 0.00 0.00 0.00 21 L H H 100.27 1.77 15.27 16.70 91.99 50.47 -65.29 -40.37 0.62 0.00 99.37 0.14 0.04 0.34 99.30 0.19 0.00 0.00 0.00 22 T H H 74.14 2.41 14.81 17.61 92.39 49.49 -65.38 -41.33 0.58 0.00 99.41 0.09 0.03 0.37 99.38 0.13 0.00 0.00 0.00 23 I H H 90.42 3.31 14.47 18.64 92.24 48.97 -64.97 -41.92 0.60 0.00 99.40 0.06 0.03 0.42 99.40 0.09 0.00 0.00 0.00 24 V H H 85.18 2.33 15.67 18.06 92.01 49.01 -64.73 -42.09 0.67 0.00 99.32 0.07 0.04 0.47 99.33 0.08 0.00 0.00 0.00 25 V H H 84.06 1.66 16.39 17.22 91.81 49.38 -64.15 -42.12 0.49 0.00 99.51 0.07 0.03 0.30 99.53 0.07 0.00 0.00 0.00 26 G H H 33.44 2.64 15.18 18.49 91.82 50.34 -63.59 -41.51 0.42 0.00 99.58 0.05 0.02 0.26 99.60 0.07 0.00 0.00 0.00 27 A H H 51.66 3.06 14.57 18.60 91.80 50.67 -63.72 -41.43 0.25 0.00 99.75 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 28 L H H 93.56 2.12 15.63 17.65 91.78 50.07 -64.24 -41.78 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 29 F H H 126.28 1.45 15.90 16.43 91.84 50.02 -64.29 -41.81 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 30 F H H 121.17 1.77 15.33 16.74 92.06 49.34 -64.87 -41.25 0.26 0.00 99.74 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 31 E H H 100.54 2.85 14.67 18.26 91.92 50.82 -64.28 -40.84 0.28 0.00 99.72 0.02 0.01 0.18 99.73 0.05 0.00 0.00 0.00 32 R H H 131.27 2.15 15.42 17.59 91.88 49.93 -64.81 -40.96 0.38 0.00 99.62 0.03 0.02 0.26 99.61 0.07 0.00 0.00 0.00 33 A H H 60.89 1.76 15.91 17.13 91.75 50.35 -63.98 -41.75 0.66 0.00 99.34 0.07 0.04 0.44 99.34 0.11 0.00 0.00 0.00 34 F H H 120.91 1.82 15.87 17.23 92.04 49.10 -64.95 -41.38 0.90 0.00 99.10 0.14 0.07 0.58 99.06 0.15 0.00 0.00 0.00 35 D H H 75.69 3.19 14.71 18.82 92.08 50.02 -64.67 -41.19 1.07 0.00 98.93 0.18 0.08 0.66 98.94 0.14 0.00 0.00 0.00 36 Q H H 106.08 2.01 16.03 17.81 91.95 49.63 -64.92 -41.01 1.08 0.00 98.91 0.11 0.07 0.75 98.92 0.15 0.00 0.00 0.00 37 G H H 39.95 1.72 16.48 17.43 91.96 49.91 -64.22 -41.41 1.44 0.00 98.56 0.18 0.10 0.96 98.59 0.18 0.00 0.00 0.00 38 A H H 55.28 2.49 15.35 18.26 91.95 50.28 -64.46 -41.14 1.13 0.00 98.86 0.15 0.08 0.71 98.88 0.18 0.00 0.00 0.00 39 D H H 76.08 3.10 15.19 19.09 91.93 50.77 -64.55 -40.52 0.93 0.00 99.07 0.12 0.06 0.58 99.09 0.15 0.00 0.00 0.00 40 A H H 57.11 2.16 15.30 17.59 91.70 51.16 -63.72 -41.52 1.08 0.00 98.92 0.11 0.06 0.73 98.91 0.18 0.00 0.00 0.00 41 I H H 98.42 1.51 15.64 16.29 91.60 49.19 -64.01 -42.36 0.90 0.00 99.09 0.10 0.06 0.63 99.01 0.20 0.00 0.00 0.00 42 Y H H 120.85 2.51 13.97 17.18 92.09 49.16 -64.71 -41.33 0.74 0.00 99.26 0.10 0.06 0.48 99.05 0.31 0.00 0.00 0.00 43 E H H 98.31 3.49 12.86 17.67 91.94 51.06 -64.83 -39.59 1.37 0.00 98.62 0.15 0.09 1.00 98.11 0.64 0.00 0.00 0.00 44 H H H 134.74 1.16 14.36 14.71 92.69 48.50 -68.04 -39.26 3.08 0.01 96.91 0.24 0.21 2.47 96.16 0.91 0.00 0.00 0.00 45 I H H 114.00 1.45 13.98 14.87 94.79 45.28 -73.22 -34.20 10.63 0.02 89.35 0.64 0.87 8.95 88.54 0.96 0.02 0.01 0.01 46 N H H 79.40 4.73 10.69 17.23 99.23 43.27 -96.65 0.08 48.98 0.29 50.73 9.23 5.24 33.74 49.62 1.86 0.02 0.10 0.19 47 E C H 115.71 3.74 11.78 17.14 99.08 113.39 -63.86 -17.16 51.10 0.40 48.50 11.16 6.64 33.34 43.24 5.15 0.04 0.16 0.27 48 G H H 47.76 2.37 14.06 16.83 97.23 21.94 60.93 -19.92 47.72 0.24 52.03 8.29 6.54 32.83 44.81 7.22 0.03 0.10 0.17 49 K H H 124.39 2.12 13.69 16.05 94.82 60.19 -73.81 -27.92 32.31 0.26 67.42 10.66 5.50 16.49 59.37 7.69 0.02 0.13 0.15 50 L H H 82.55 4.19 12.23 18.04 93.59 61.64 -65.49 -40.39 20.13 0.23 79.64 7.76 3.40 9.47 73.79 5.34 0.02 0.11 0.11 51 W H H 142.84 2.59 13.33 16.69 92.11 51.33 -64.92 -40.44 5.60 0.05 94.34 2.07 0.77 2.77 91.22 3.13 0.00 0.03 0.02 52 K H H 124.69 1.49 14.93 15.91 92.01 51.47 -64.87 -40.55 3.04 0.02 96.94 0.78 0.33 1.81 94.56 2.51 0.00 0.01 0.00 53 H H H 104.68 2.11 14.15 16.48 92.22 49.72 -65.37 -40.85 4.14 0.02 95.84 0.82 0.40 2.77 93.68 2.31 0.00 0.01 0.01 54 I H H 82.93 2.82 13.36 17.16 92.21 49.14 -65.14 -41.80 3.22 0.02 96.76 0.85 0.39 1.82 95.63 1.28 0.00 0.01 0.01 55 K H H 110.08 2.12 13.74 16.37 91.63 51.38 -63.88 -41.24 2.06 0.01 97.92 0.53 0.21 1.16 96.77 1.31 0.00 0.01 0.00 56 H H H 106.54 1.57 13.57 14.99 91.98 50.32 -64.38 -40.72 2.85 0.01 97.13 0.56 0.27 1.85 95.41 1.90 0.00 0.01 0.00 57 K H H 117.47 1.66 12.75 14.58 92.02 50.40 -65.36 -39.70 4.16 0.02 95.82 0.87 0.46 2.63 93.99 2.03 0.01 0.01 0.01 58 Y H H 129.04 2.27 10.63 14.04 92.79 49.49 -67.86 -37.58 8.15 0.07 91.77 2.45 1.23 4.57 89.74 1.93 0.01 0.03 0.03 59 E H H 128.40 1.47 10.04 12.17 93.29 52.67 -69.15 -32.40 15.56 0.12 84.32 4.44 2.30 8.84 82.32 1.98 0.02 0.05 0.06 60 N H H 124.82 0.97 9.36 10.56 96.32 53.46 -78.89 -13.13 34.05 0.17 65.78 9.38 4.21 20.26 64.15 1.82 0.01 0.06 0.11 61 K C C 150.01 1.69 7.69 10.77 102.68 74.68 -83.26 9.55 64.56 0.16 35.27 37.24 1.81 22.79 36.72 1.27 0.00 0.06 0.11 62 E C C 145.92 1.91 10.12 13.41 106.78 103.58 -81.31 104.41 99.95 0.01 0.05 99.80 0.06 0.10 0.03 0.00 0.00 0.00 0.00